2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide

C12H18F3NO2 — CID 164679204

IUPAC2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(C)(C)C(=O)N[C@H]1CC[C@H](C(F)(F)F)CC1=O
InChIInChI=1S/C12H18F3NO2/c1-11(2,3)10(18)16-8-5-4-7(6-9(8)17)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,18)/t7-,8-/m0/s1
InChIKeyBNCYZDQNODWNBA-YUMQZZPRSA-N
MW265.27 g/mol
LogP2.45
Rot. Bonds1

About 2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide

2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 164679204) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID164679204
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(C)(C)C(=O)N[C@H]1CC[C@H](C(F)(F)F)CC1=O
InChIInChI=1S/C12H18F3NO2/c1-11(2,3)10(18)16-8-5-4-7(6-9(8)17)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,18)/t7-,8-/m0/s1
InChIKeyBNCYZDQNODWNBA-YUMQZZPRSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide (CID 164679204) is 2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide is CC(C)(C)C(=O)N[C@H]1CC[C@H](C(F)(F)F)CC1=O.
What is the InChIKey of 2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is BNCYZDQNODWNBA-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-11(2,3)10(18)16-8-5-4-7(6-9(8)17)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,18)/t7-,8-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide?
2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 265.27 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 164679204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).