1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine

C11H14F3NS — CID 64753639

IUPAC1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2cccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3NS/c12-11(13,14)8-3-5-10(15,6-4-8)9-2-1-7-16-9/h1-2,7-8H,3-6,15H2
InChIKeyMHOMZCHYLYSIGI-UHFFFAOYSA-N
MW249.30 g/mol
LogP3.65
Rot. Bonds1

About 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine

1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753639) has the molecular formula C11H14F3NS and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753639
Molecular FormulaC11H14F3NS
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC Name1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2cccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3NS/c12-11(13,14)8-3-5-10(15,6-4-8)9-2-1-7-16-9/h1-2,7-8H,3-6,15H2
InChIKeyMHOMZCHYLYSIGI-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-thiophen-2-yl-4-(trifluoromethyl)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 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753639) is 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is NC1(c2cccs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MHOMZCHYLYSIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NS/c12-11(13,14)8-3-5-10(15,6-4-8)9-2-1-7-16-9/h1-2,7-8H,3-6,15H2.
What are the key properties of 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 249.30 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).