4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine

C13H18F3NS — CID 112745500

IUPAC4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)(c2cscc2C(F)(F)F)CC1
InChIInChI=1S/C13H18F3NS/c1-11(2)3-5-12(17,6-4-11)9-7-18-8-10(9)13(14,15)16/h7-8H,3-6,17H2,1-2H3
InChIKeyPMHBLVUCWRCSQW-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.52
Rot. Bonds1

About 4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine

4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine (PubChem CID 112745500) has the molecular formula C13H18F3NS and a molecular weight of 277.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine
PubChem CID112745500
Molecular FormulaC13H18F3NS
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)(c2cscc2C(F)(F)F)CC1
InChIInChI=1S/C13H18F3NS/c1-11(2)3-5-12(17,6-4-11)9-7-18-8-10(9)13(14,15)16/h7-8H,3-6,17H2,1-2H3
InChIKeyPMHBLVUCWRCSQW-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine 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-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine (CID 112745500) is 4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine is CC1(C)CCC(N)(c2cscc2C(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine?
The InChIKey is PMHBLVUCWRCSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-11(2)3-5-12(17,6-4-11)9-7-18-8-10(9)13(14,15)16/h7-8H,3-6,17H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine?
4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine has a molecular weight of 277.35 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 112745500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).