3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide

C12H18F3NO2 — CID 130457774

IUPAC3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide
SMILESCCC(=O)C1(NC(=O)CC(F)(F)F)CCCCC1
InChIInChI=1S/C12H18F3NO2/c1-2-9(17)11(6-4-3-5-7-11)16-10(18)8-12(13,14)15/h2-8H2,1H3,(H,16,18)
InChIKeySNNSWVXFCMTTKY-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.74
Rot. Bonds4

About 3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide

3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide (PubChem CID 130457774) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide
PubChem CID130457774
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide
SMILESCCC(=O)C1(NC(=O)CC(F)(F)F)CCCCC1
InChIInChI=1S/C12H18F3NO2/c1-2-9(17)11(6-4-3-5-7-11)16-10(18)8-12(13,14)15/h2-8H2,1H3,(H,16,18)
InChIKeySNNSWVXFCMTTKY-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-N-(1-propanoylcyclohexyl)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 3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide (CID 130457774) is 3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide is CCC(=O)C1(NC(=O)CC(F)(F)F)CCCCC1.
What is the InChIKey of 3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide?
The InChIKey is SNNSWVXFCMTTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-2-9(17)11(6-4-3-5-7-11)16-10(18)8-12(13,14)15/h2-8H2,1H3,(H,16,18).
What are the key properties of 3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide?
3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide has a molecular weight of 265.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1-propanoylcyclohexyl)propanamide is sourced from PubChem (CID 130457774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).