[3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine

C12H12FNOS — CID 43657611

IUPAC[3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine
SMILESNCc1ccc(SCc2ccco2)c(F)c1
InChIInChI=1S/C12H12FNOS/c13-11-6-9(7-14)3-4-12(11)16-8-10-2-1-5-15-10/h1-6H,7-8,14H2
InChIKeyZTWCSAWDZYCZCU-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.17
Rot. Bonds4

About [3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine

[3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine (PubChem CID 43657611) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is [3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine
PubChem CID43657611
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name[3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine
SMILESNCc1ccc(SCc2ccco2)c(F)c1
InChIInChI=1S/C12H12FNOS/c13-11-6-9(7-14)3-4-12(11)16-8-10-2-1-5-15-10/h1-6H,7-8,14H2
InChIKeyZTWCSAWDZYCZCU-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

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine (CID 43657611) is [3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine is NCc1ccc(SCc2ccco2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
The InChIKey is ZTWCSAWDZYCZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-11-6-9(7-14)3-4-12(11)16-8-10-2-1-5-15-10/h1-6H,7-8,14H2.
What are the key properties of [3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
[3-fluoro-4-(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 [3-fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 43657611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).