2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C14H18ClF3N2S — CID 81234125

IUPAC2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)(F)CN1CCC(CNC2CCc3sc(Cl)cc32)C1
InChIInChI=1S/C14H18ClF3N2S/c15-13-5-10-11(1-2-12(10)21-13)19-6-9-3-4-20(7-9)8-14(16,17)18/h5,9,11,19H,1-4,6-8H2
InChIKeyWMUIQJKUMIBKGZ-UHFFFAOYSA-N
MW338.83 g/mol
LogP3.86
Rot. Bonds4

About 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81234125) has the molecular formula C14H18ClF3N2S and a molecular weight of 338.83 g/mol. Its IUPAC name is 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81234125
Molecular FormulaC14H18ClF3N2S
Molecular Weight338.83 g/mol
Exact Mass338.08
IUPAC Name2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)(F)CN1CCC(CNC2CCc3sc(Cl)cc32)C1
InChIInChI=1S/C14H18ClF3N2S/c15-13-5-10-11(1-2-12(10)21-13)19-6-9-3-4-20(7-9)8-14(16,17)18/h5,9,11,19H,1-4,6-8H2
InChIKeyWMUIQJKUMIBKGZ-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-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-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81234125) is 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is FC(F)(F)CN1CCC(CNC2CCc3sc(Cl)cc32)C1.
What is the InChIKey of 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is WMUIQJKUMIBKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2S/c15-13-5-10-11(1-2-12(10)21-13)19-6-9-3-4-20(7-9)8-14(16,17)18/h5,9,11,19H,1-4,6-8H2.
What are the key properties of 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 338.83 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81234125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).