(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide

C12H20F3NO — CID 100835824

IUPAC(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO/c1-3-8(2)11(17)16-10-6-4-5-9(7-10)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17)/t8-,9+,10+/m0/s1
InChIKeyOYCGSOSCFAZCGM-IVZWLZJFSA-N
MW251.29 g/mol
LogP3.27
Rot. Bonds3

About (2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide

(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 100835824) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID100835824
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO/c1-3-8(2)11(17)16-10-6-4-5-9(7-10)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17)/t8-,9+,10+/m0/s1
InChIKeyOYCGSOSCFAZCGM-IVZWLZJFSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-3-methylbutanamide
CID 233660
Butyramide, N-(4-butylcyclohexyl)-
CID 58003
Valeramide, N-isopropyl-2-propyl-
CID 200920
N-(4-Methylcyclohexyl)acetamide
CID 286632
Propionamide, N-(1-methyl-2-propylpentyl)-
CID 3040306
N-(2-Ethylhexyl)trifluoroacetamide
CID 546371
3,3,3-trifluoro-N-(4-methylcyclohexyl)propanamide
CID 45806657
Trifluoroacetamide, N-(1-cyclohexylethyl)
CID 529467
Pentafluoropropanamide, N-(2-ethylhexyl)-
CID 91726924
Acetamide, N-(cyclohexylmethyl)-2,2,2-trifluoro-
CID 10488619
N-(1,5-Dimethylhexyl)trifluoroacetamide
CID 11564832
n-Isopropylcyclohexanecarboxamide
CID 232390

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of (2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide (CID 100835824) is (2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for (2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for (2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide is CC[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is OYCGSOSCFAZCGM-IVZWLZJFSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-3-8(2)11(17)16-10-6-4-5-9(7-10)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17)/t8-,9+,10+/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide?
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 251.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 100835824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).