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

C9H9ClF3NS — CID 81251487

IUPAC2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)(F)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C9H9ClF3NS/c10-8-3-5-6(1-2-7(5)15-8)14-4-9(11,12)13/h3,6,14H,1-2,4H2
InChIKeyMWKXLVGJUMDRTC-UHFFFAOYSA-N
MW255.69 g/mol
LogP3.54
Rot. Bonds2

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

2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81251487) has the molecular formula C9H9ClF3NS and a molecular weight of 255.69 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81251487
Molecular FormulaC9H9ClF3NS
Molecular Weight255.69 g/mol
Exact Mass255.01
IUPAC Name2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)(F)CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C9H9ClF3NS/c10-8-3-5-6(1-2-7(5)15-8)14-4-9(11,12)13/h3,6,14H,1-2,4H2
InChIKeyMWKXLVGJUMDRTC-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81251487) is 2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is FC(F)(F)CNC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is MWKXLVGJUMDRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NS/c10-8-3-5-6(1-2-7(5)15-8)14-4-9(11,12)13/h3,6,14H,1-2,4H2.
What are the key properties of 2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 255.69 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81251487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).