1-(benzenesulfinyl)-4-fluorobenzene

C12H9FOS — CID 21200956

IUPAC1-(benzenesulfinyl)-4-fluorobenzene
SMILESO=S(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C12H9FOS/c13-10-6-8-12(9-7-10)15(14)11-4-2-1-3-5-11/h1-9H
InChIKeyKNEFFFGNUPNZDR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.99
Rot. Bonds2

About 1-(benzenesulfinyl)-4-fluorobenzene

1-(benzenesulfinyl)-4-fluorobenzene (PubChem CID 21200956) has the molecular formula C12H9FOS and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(benzenesulfinyl)-4-fluorobenzene
PubChem CID21200956
Molecular FormulaC12H9FOS
Molecular Weight220.27 g/mol
Exact Mass220.04
IUPAC Name1-(benzenesulfinyl)-4-fluorobenzene
SMILESO=S(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C12H9FOS/c13-10-6-8-12(9-7-10)15(14)11-4-2-1-3-5-11/h1-9H
InChIKeyKNEFFFGNUPNZDR-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene
CID 14816295
9-[4-(4-fluorophenyl)sulfinylphenyl]carbazole
CID 166955230
1-(4-fluorophenyl)sulfinyl-4-nitrobenzene
CID 21200948
4-(benzenesulfinyl)benzaldehyde
CID 11031685
benzenesulfinylbenzene;trichloro(methyl)silane
CID 68863151
(S)-4-fluorobenzenesulfinamide
CID 53349357
4-fluorobenzenesulfinyl chloride
CID 12669616
1-nitro-4-[(S)-phenylsulfinyl]benzene
CID 93233774
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
ethane;1-fluoro-4-methylsulfinylbenzene
CID 144882301
5-(benzenesulfinyl)-1H-indole
CID 86221064

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-4-fluorobenzene?
The IUPAC name of 1-(benzenesulfinyl)-4-fluorobenzene (CID 21200956) is 1-(benzenesulfinyl)-4-fluorobenzene.
What is the SMILES notation for 1-(benzenesulfinyl)-4-fluorobenzene?
The canonical SMILES for 1-(benzenesulfinyl)-4-fluorobenzene is O=S(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(benzenesulfinyl)-4-fluorobenzene?
The InChIKey is KNEFFFGNUPNZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FOS/c13-10-6-8-12(9-7-10)15(14)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-(benzenesulfinyl)-4-fluorobenzene?
1-(benzenesulfinyl)-4-fluorobenzene has a molecular weight of 220.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-4-fluorobenzene is sourced from PubChem (CID 21200956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).