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

C14H12ClF2NS — CID 81252598

IUPAC2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFc1ccc(CNC2CCc3sc(Cl)cc32)c(F)c1
InChIInChI=1S/C14H12ClF2NS/c15-14-6-10-12(3-4-13(10)19-14)18-7-8-1-2-9(16)5-11(8)17/h1-2,5-6,12,18H,3-4,7H2
InChIKeyQXIWGVDKODPEHH-UHFFFAOYSA-N
MW299.77 g/mol
LogP4.46
Rot. Bonds3

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

2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252598) has the molecular formula C14H12ClF2NS and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252598
Molecular FormulaC14H12ClF2NS
Molecular Weight299.77 g/mol
Exact Mass299.03
IUPAC Name2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFc1ccc(CNC2CCc3sc(Cl)cc32)c(F)c1
InChIInChI=1S/C14H12ClF2NS/c15-14-6-10-12(3-4-13(10)19-14)18-7-8-1-2-9(16)5-11(8)17/h1-2,5-6,12,18H,3-4,7H2
InChIKeyQXIWGVDKODPEHH-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252598) is 2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Fc1ccc(CNC2CCc3sc(Cl)cc32)c(F)c1.
What is the InChIKey of 2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is QXIWGVDKODPEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NS/c15-14-6-10-12(3-4-13(10)19-14)18-7-8-1-2-9(16)5-11(8)17/h1-2,5-6,12,18H,3-4,7H2.
What are the key properties of 2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 299.77 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).