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

C15H15ClFNS — CID 81251836

IUPAC2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFc1cccc(CCNC2CCc3sc(Cl)cc32)c1
InChIInChI=1S/C15H15ClFNS/c16-15-9-12-13(4-5-14(12)19-15)18-7-6-10-2-1-3-11(17)8-10/h1-3,8-9,13,18H,4-7H2
InChIKeyDDYPOLQLBVDUDA-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.36
Rot. Bonds4

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

2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81251836) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81251836
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFc1cccc(CCNC2CCc3sc(Cl)cc32)c1
InChIInChI=1S/C15H15ClFNS/c16-15-9-12-13(4-5-14(12)19-15)18-7-6-10-2-1-3-11(17)8-10/h1-3,8-9,13,18H,4-7H2
InChIKeyDDYPOLQLBVDUDA-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.36
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-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81251836) is 2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Fc1cccc(CCNC2CCc3sc(Cl)cc32)c1.
What is the InChIKey of 2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is DDYPOLQLBVDUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c16-15-9-12-13(4-5-14(12)19-15)18-7-6-10-2-1-3-11(17)8-10/h1-3,8-9,13,18H,4-7H2.
What are the key properties of 2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[2-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 295.81 g/mol, XLogP of 4.36, 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-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81251836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).