[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine

C12H12FNOS — CID 63673998

IUPAC[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1SCc1ccco1
InChIInChI=1S/C12H12FNOS/c13-10-3-4-12(9(6-10)7-14)16-8-11-2-1-5-15-11/h1-6H,7-8,14H2
InChIKeyVBKBBLKFVIJBEA-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.17
Rot. Bonds4

About [5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine

[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine (PubChem CID 63673998) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is [5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine
PubChem CID63673998
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1SCc1ccco1
InChIInChI=1S/C12H12FNOS/c13-10-3-4-12(9(6-10)7-14)16-8-11-2-1-5-15-11/h1-6H,7-8,14H2
InChIKeyVBKBBLKFVIJBEA-UHFFFAOYSA-N
XLogP3.17
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine (CID 63673998) is [5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine is NCc1cc(F)ccc1SCc1ccco1.
What is the InChIKey of [5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
The InChIKey is VBKBBLKFVIJBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-10-3-4-12(9(6-10)7-14)16-8-11-2-1-5-15-11/h1-6H,7-8,14H2.
What are the key properties of [5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 63673998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).