1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

C11H13ClF3NS — CID 107359294

IUPAC1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2sccc2Cl)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H13ClF3NS/c12-8-3-5-17-9(8)10(16)4-1-2-7(6-10)11(13,14)15/h3,5,7H,1-2,4,6,16H2
InChIKeyKLRWNHUCCGAETD-UHFFFAOYSA-N
MW283.75 g/mol
LogP4.31
Rot. Bonds1

About 1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 107359294) has the molecular formula C11H13ClF3NS and a molecular weight of 283.75 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID107359294
Molecular FormulaC11H13ClF3NS
Molecular Weight283.75 g/mol
Exact Mass283.04
IUPAC Name1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2sccc2Cl)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H13ClF3NS/c12-8-3-5-17-9(8)10(16)4-1-2-7(6-10)11(13,14)15/h3,5,7H,1-2,4,6,16H2
InChIKeyKLRWNHUCCGAETD-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorothiophen-2-yl)-3-(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-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 107359294) is 1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is NC1(c2sccc2Cl)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KLRWNHUCCGAETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NS/c12-8-3-5-17-9(8)10(16)4-1-2-7(6-10)11(13,14)15/h3,5,7H,1-2,4,6,16H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 283.75 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 107359294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).