2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C14H17ClF3NS — CID 81252390

IUPAC2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)(F)C1CCC(NC2CCc3sc(Cl)cc32)CC1
InChIInChI=1S/C14H17ClF3NS/c15-13-7-10-11(5-6-12(10)20-13)19-9-3-1-8(2-4-9)14(16,17)18/h7-9,11,19H,1-6H2
InChIKeyPECBTQZXGDJBNN-UHFFFAOYSA-N
MW323.81 g/mol
LogP5.10
Rot. Bonds2

About 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252390) has the molecular formula C14H17ClF3NS and a molecular weight of 323.81 g/mol. Its IUPAC name is 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252390
Molecular FormulaC14H17ClF3NS
Molecular Weight323.81 g/mol
Exact Mass323.07
IUPAC Name2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)(F)C1CCC(NC2CCc3sc(Cl)cc32)CC1
InChIInChI=1S/C14H17ClF3NS/c15-13-7-10-11(5-6-12(10)20-13)19-9-3-1-8(2-4-9)14(16,17)18/h7-9,11,19H,1-6H2
InChIKeyPECBTQZXGDJBNN-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.81
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-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 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252390) is 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is FC(F)(F)C1CCC(NC2CCc3sc(Cl)cc32)CC1.
What is the InChIKey of 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is PECBTQZXGDJBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NS/c15-13-7-10-11(5-6-12(10)20-13)19-9-3-1-8(2-4-9)14(16,17)18/h7-9,11,19H,1-6H2.
What are the key properties of 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 323.81 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).