1-(benzenesulfinylmethyl)-4-fluorobenzene

C13H11FOS — CID 14958622

IUPAC1-(benzenesulfinylmethyl)-4-fluorobenzene
SMILESO=S(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H11FOS/c14-12-8-6-11(7-9-12)10-16(15)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyARJGAHZOUOMFSN-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.13
Rot. Bonds3

About 1-(benzenesulfinylmethyl)-4-fluorobenzene

1-(benzenesulfinylmethyl)-4-fluorobenzene (PubChem CID 14958622) has the molecular formula C13H11FOS and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(benzenesulfinylmethyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(benzenesulfinylmethyl)-4-fluorobenzene
PubChem CID14958622
Molecular FormulaC13H11FOS
Molecular Weight234.30 g/mol
Exact Mass234.05
IUPAC Name1-(benzenesulfinylmethyl)-4-fluorobenzene
SMILESO=S(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H11FOS/c14-12-8-6-11(7-9-12)10-16(15)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyARJGAHZOUOMFSN-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinylmethyl)-4-fluorobenzene?
The IUPAC name of 1-(benzenesulfinylmethyl)-4-fluorobenzene (CID 14958622) is 1-(benzenesulfinylmethyl)-4-fluorobenzene.
What is the SMILES notation for 1-(benzenesulfinylmethyl)-4-fluorobenzene?
The canonical SMILES for 1-(benzenesulfinylmethyl)-4-fluorobenzene is O=S(Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfinylmethyl)-4-fluorobenzene?
The InChIKey is ARJGAHZOUOMFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c14-12-8-6-11(7-9-12)10-16(15)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 1-(benzenesulfinylmethyl)-4-fluorobenzene?
1-(benzenesulfinylmethyl)-4-fluorobenzene has a molecular weight of 234.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinylmethyl)-4-fluorobenzene is sourced from PubChem (CID 14958622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).