Free Chemical Databases
-
[Synonyms]
NSC306127
[Structure]
[ Properties Computed from Structure]
Molecular Weight 227.18099 [g/mol] Molecular Formula C8H12F3NO3 XLogP -0.6 H-Bond Donor 2 H-Bond Acceptor 6 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 227.076928 MonoIsotopic Mass 227.076928 Topological Polar Surface Area 66.4 Heavy Atom Count 15 Formal Charge 0 Complexity 252 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
Canonical SMILES: CCC(C)C(C(=O)O)NC(=O)C(F)(F)F
InChI: InChI=1/C8H12F3NO3/c1-3-4(2)5(6(13)14)12-7(15)8(9,10)11/h4-5H,3H2,1-2H3,
(H,12,15)(H,13,14)/f/h12-13H
Other Chemicals
- NCIOpen2_004279,NSC81333,
- NSC151005,36873-42-4,
- NSC73370,4931-12-8,
- NSC48606,6341-90-8,
- NSC81990,Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-2-pyrimidinyl-,Butyramide, 4-[p-[bis(2-chloroethyl)a
- NCIOpen2_000832,2-Chloro-5-fluoro-pyrimidin-4-ol,NSC80850,4-(1H)-Pyrimidinone, 2-chloro-5-fluoro-,TL8001165,15
- NSC43951,6310-77-6,
- N-Antipyrinylsuccinamic acid,Maybridge1_002243,Oprea1_208811,Oprea1_863549,Succinamic acid, N-antipyrinyl-,BRN
- NCIOpen2_001839,NSC100896,
- NSC7877,1H-Pyrazolo[3,4-d]pyrimidine, 4-anilino-6-chloro-1-phenyl-,5414-01-7,
- Phenothiazine-1-carboxamide,NSC137810,
- BRN 0499534,LS-27419,Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-5-(2,4,5-trimethoxybenzamido)-,Benzamide, N-(1,
- IUPAC Name: N'-(1-oxo-[1,3]thiazolo[3,,2-a]benzimidazol-2-yl)-N-phenyl-1-sulfanylmethanimidamide hydrochloride
- CBDivE_013478,NSC6884,ZINC01867056,ST004421,2447-88-3,
- NSC77699
- NSC25540,92699-30-4,
- 3,6-Dibromocarbazole,Carbazole, 3,6-dibromo-,9H-Carbazole, 3,6-dibromo-,259004_ALDRICH,410411_ALDRICH,AIDS4395
- NSC164260,ZINC00399566,AO-548/41769258,Z28290310,
- NSC105360
- NSC166052
- NSC51906,6634-47-5,
- NSC80419
- IUPAC Name: 1-[1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-
- NSC44447,C15380,Progesterone, 9-fluoro-11.beta.,16.alpha.-dihydroxy-,9-Fluoro-11beta,16alpha-dihydroxypregn-4-
- IUPAC Name: ethyl 5-(butyl-methylamino)diazenyl-3H-imidazole-4-carboxylate,Canonical SMILES: CCCCN(C)N=NC1=C(N
- NCIOpen2_005854,NSC93224,64672-10-2,
- NSC25899
- NSC132102
- NSC67272,38342-45-9,
- NSC165318