2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine

C15H15ClFNS — CID 61078651

IUPAC2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C15H15ClFNS/c16-11-4-2-5-12(17)10(11)8-13(18)15-7-9-3-1-6-14(9)19-15/h2,4-5,7,13H,1,3,6,8,18H2
InChIKeyVZMSXDGRLMTDKY-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.27
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (PubChem CID 61078651) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
PubChem CID61078651
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C15H15ClFNS/c16-11-4-2-5-12(17)10(11)8-13(18)15-7-9-3-1-6-14(9)19-15/h2,4-5,7,13H,1,3,6,8,18H2
InChIKeyVZMSXDGRLMTDKY-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (CID 61078651) is 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine is NC(Cc1c(F)cccc1Cl)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
The InChIKey is VZMSXDGRLMTDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c16-11-4-2-5-12(17)10(11)8-13(18)15-7-9-3-1-6-14(9)19-15/h2,4-5,7,13H,1,3,6,8,18H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine has a molecular weight of 295.81 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine is sourced from PubChem (CID 61078651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).