(3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone

C13H15F3OS — CID 112745506

IUPAC(3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
SMILESCC1CCCC(C(=O)c2cscc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3OS/c1-8-3-2-4-9(5-8)12(17)10-6-18-7-11(10)13(14,15)16/h6-9H,2-5H2,1H3
InChIKeyCNWAZVBRKUKLTM-UHFFFAOYSA-N
MW276.32 g/mol
LogP4.78
Rot. Bonds2

About (3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone

(3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone (PubChem CID 112745506) has the molecular formula C13H15F3OS and a molecular weight of 276.32 g/mol. Its IUPAC name is (3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name(3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
PubChem CID112745506
Molecular FormulaC13H15F3OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name(3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
SMILESCC1CCCC(C(=O)c2cscc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3OS/c1-8-3-2-4-9(5-8)12(17)10-6-18-7-11(10)13(14,15)16/h6-9H,2-5H2,1H3
InChIKeyCNWAZVBRKUKLTM-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone 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-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
The IUPAC name of (3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone (CID 112745506) is (3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone.
What is the SMILES notation for (3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
The canonical SMILES for (3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone is CC1CCCC(C(=O)c2cscc2C(F)(F)F)C1.
What is the InChIKey of (3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
The InChIKey is CNWAZVBRKUKLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3OS/c1-8-3-2-4-9(5-8)12(17)10-6-18-7-11(10)13(14,15)16/h6-9H,2-5H2,1H3.
What are the key properties of (3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
(3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone has a molecular weight of 276.32 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone is sourced from PubChem (CID 112745506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).