2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C15H14ClF2NS — CID 81251600

IUPAC2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC(NC1CCc2sc(Cl)cc21)c1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2NS/c1-8(10-6-9(17)2-3-12(10)18)19-13-4-5-14-11(13)7-15(16)20-14/h2-3,6-8,13,19H,4-5H2,1H3
InChIKeyORMKFVQUAYWAPO-UHFFFAOYSA-N
MW313.80 g/mol
LogP5.02
Rot. Bonds3

About 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81251600) has the molecular formula C15H14ClF2NS and a molecular weight of 313.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81251600
Molecular FormulaC15H14ClF2NS
Molecular Weight313.80 g/mol
Exact Mass313.05
IUPAC Name2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC(NC1CCc2sc(Cl)cc21)c1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2NS/c1-8(10-6-9(17)2-3-12(10)18)19-13-4-5-14-11(13)7-15(16)20-14/h2-3,6-8,13,19H,4-5H2,1H3
InChIKeyORMKFVQUAYWAPO-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.80
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81251600) is 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CC(NC1CCc2sc(Cl)cc21)c1cc(F)ccc1F.
What is the InChIKey of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is ORMKFVQUAYWAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NS/c1-8(10-6-9(17)2-3-12(10)18)19-13-4-5-14-11(13)7-15(16)20-14/h2-3,6-8,13,19H,4-5H2,1H3.
What are the key properties of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 313.80 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81251600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).