N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine

C10H13ClFNS — CID 130686348

IUPACN-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine
SMILESFC1CCC(NCc2cc(Cl)cs2)C1
InChIInChI=1S/C10H13ClFNS/c11-7-3-10(14-6-7)5-13-9-2-1-8(12)4-9/h3,6,8-9,13H,1-2,4-5H2
InChIKeyLGQSVSHPJXCQDU-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.38
Rot. Bonds3

About N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine

N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine (PubChem CID 130686348) has the molecular formula C10H13ClFNS and a molecular weight of 233.74 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine
PubChem CID130686348
Molecular FormulaC10H13ClFNS
Molecular Weight233.74 g/mol
Exact Mass233.04
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine
SMILESFC1CCC(NCc2cc(Cl)cs2)C1
InChIInChI=1S/C10H13ClFNS/c11-7-3-10(14-6-7)5-13-9-2-1-8(12)4-9/h3,6,8-9,13H,1-2,4-5H2
InChIKeyLGQSVSHPJXCQDU-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine (CID 130686348) is N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine is FC1CCC(NCc2cc(Cl)cs2)C1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine?
The InChIKey is LGQSVSHPJXCQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNS/c11-7-3-10(14-6-7)5-13-9-2-1-8(12)4-9/h3,6,8-9,13H,1-2,4-5H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine?
N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine has a molecular weight of 233.74 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-3-fluorocyclopentan-1-amine is sourced from PubChem (CID 130686348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).