(4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone

C14H17F3OS — CID 112745509

IUPAC(4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
SMILESCC1(C)CCC(C(=O)c2cscc2C(F)(F)F)CC1
InChIInChI=1S/C14H17F3OS/c1-13(2)5-3-9(4-6-13)12(18)10-7-19-8-11(10)14(15,16)17/h7-9H,3-6H2,1-2H3
InChIKeyZLEFFSWPPIDBHH-UHFFFAOYSA-N
MW290.35 g/mol
LogP5.17
Rot. Bonds2

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

(4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone (PubChem CID 112745509) has the molecular formula C14H17F3OS and a molecular weight of 290.35 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
PubChem CID112745509
Molecular FormulaC14H17F3OS
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Name(4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
SMILESCC1(C)CCC(C(=O)c2cscc2C(F)(F)F)CC1
InChIInChI=1S/C14H17F3OS/c1-13(2)5-3-9(4-6-13)12(18)10-7-19-8-11(10)14(15,16)17/h7-9H,3-6H2,1-2H3
InChIKeyZLEFFSWPPIDBHH-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4,4-dimethylcyclohexyl)-[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 (4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
The IUPAC name of (4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone (CID 112745509) is (4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
The canonical SMILES for (4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone is CC1(C)CCC(C(=O)c2cscc2C(F)(F)F)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
The InChIKey is ZLEFFSWPPIDBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3OS/c1-13(2)5-3-9(4-6-13)12(18)10-7-19-8-11(10)14(15,16)17/h7-9H,3-6H2,1-2H3.
What are the key properties of (4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
(4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone has a molecular weight of 290.35 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone is sourced from PubChem (CID 112745509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).