2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C10H11ClF3NS — CID 81252705

IUPAC2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)(F)CCNC1CCc2sc(Cl)cc21
InChIInChI=1S/C10H11ClF3NS/c11-9-5-6-7(1-2-8(6)16-9)15-4-3-10(12,13)14/h5,7,15H,1-4H2
InChIKeyLCVRZYFWOZJRBN-UHFFFAOYSA-N
MW269.72 g/mol
LogP3.93
Rot. Bonds3

About 2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252705) has the molecular formula C10H11ClF3NS and a molecular weight of 269.72 g/mol. Its IUPAC name is 2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252705
Molecular FormulaC10H11ClF3NS
Molecular Weight269.72 g/mol
Exact Mass269.03
IUPAC Name2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFC(F)(F)CCNC1CCc2sc(Cl)cc21
InChIInChI=1S/C10H11ClF3NS/c11-9-5-6-7(1-2-8(6)16-9)15-4-3-10(12,13)14/h5,7,15H,1-4H2
InChIKeyLCVRZYFWOZJRBN-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252705) is 2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is FC(F)(F)CCNC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is LCVRZYFWOZJRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NS/c11-9-5-6-7(1-2-8(6)16-9)15-4-3-10(12,13)14/h5,7,15H,1-4H2.
What are the key properties of 2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 269.72 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).