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

C14H13ClFNS — CID 81251495

IUPAC2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFc1ccccc1CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C14H13ClFNS/c15-14-7-10-12(5-6-13(10)18-14)17-8-9-3-1-2-4-11(9)16/h1-4,7,12,17H,5-6,8H2
InChIKeyULDBADAWZIHWHZ-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.32
Rot. Bonds3

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

2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81251495) has the molecular formula C14H13ClFNS and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81251495
Molecular FormulaC14H13ClFNS
Molecular Weight281.78 g/mol
Exact Mass281.04
IUPAC Name2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESFc1ccccc1CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C14H13ClFNS/c15-14-7-10-12(5-6-13(10)18-14)17-8-9-3-1-2-4-11(9)16/h1-4,7,12,17H,5-6,8H2
InChIKeyULDBADAWZIHWHZ-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.32
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-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81251495) is 2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Fc1ccccc1CNC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is ULDBADAWZIHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNS/c15-14-7-10-12(5-6-13(10)18-14)17-8-9-3-1-2-4-11(9)16/h1-4,7,12,17H,5-6,8H2.
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 281.78 g/mol, XLogP of 4.32, 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-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81251495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).