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

C15H14ClF2NS — CID 81252299

IUPAC2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFc1cc(F)cc(CCNC2CCc3sc(Cl)cc32)c1
InChIInChI=1S/C15H14ClF2NS/c16-15-8-12-13(1-2-14(12)20-15)19-4-3-9-5-10(17)7-11(18)6-9/h5-8,13,19H,1-4H2
InChIKeyMBKGLMJLDPHRFS-UHFFFAOYSA-N
MW313.80 g/mol
LogP4.50
Rot. Bonds4

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

2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252299) has the molecular formula C15H14ClF2NS and a molecular weight of 313.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252299
Molecular FormulaC15H14ClF2NS
Molecular Weight313.80 g/mol
Exact Mass313.05
IUPAC Name2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFc1cc(F)cc(CCNC2CCc3sc(Cl)cc32)c1
InChIInChI=1S/C15H14ClF2NS/c16-15-8-12-13(1-2-14(12)20-15)19-4-3-9-5-10(17)7-11(18)6-9/h5-8,13,19H,1-4H2
InChIKeyMBKGLMJLDPHRFS-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 54.50
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-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252299) is 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Fc1cc(F)cc(CCNC2CCc3sc(Cl)cc32)c1.
What is the InChIKey of 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is MBKGLMJLDPHRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NS/c16-15-8-12-13(1-2-14(12)20-15)19-4-3-9-5-10(17)7-11(18)6-9/h5-8,13,19H,1-4H2.
What are the key properties of 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 313.80 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).