1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene

C13H10F2O2S — CID 60777072

IUPAC1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C13H10F2O2S/c14-11-5-7-12(8-6-11)18(16,17)9-10-3-1-2-4-13(10)15/h1-8H,9H2
InChIKeyGTGFGPAXIMEKOV-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.94
Rot. Bonds3

About 1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene

1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene (PubChem CID 60777072) has the molecular formula C13H10F2O2S and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene
PubChem CID60777072
Molecular FormulaC13H10F2O2S
Molecular Weight268.28 g/mol
Exact Mass268.04
IUPAC Name1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene
SMILESO=S(=O)(Cc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C13H10F2O2S/c14-11-5-7-12(8-6-11)18(16,17)9-10-3-1-2-4-13(10)15/h1-8H,9H2
InChIKeyGTGFGPAXIMEKOV-UHFFFAOYSA-N
XLogP2.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 64717962
2-[(2-fluorophenyl)methylsulfonyl]naphthalene
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4-[(2,5-difluorophenyl)methylsulfonyl]benzoic acid
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1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
2-[(4-fluorophenyl)sulfonylmethyl]thiophene
CID 64716484
1-fluoro-2-(propylsulfonylmethyl)benzene
CID 18337004
1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one
CID 64643723
[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
CID 64697361
[2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorophenyl]methanamine
CID 64763606
4-fluoro-N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17012985
3-[(4-fluorophenyl)sulfonylmethyl]aniline
CID 43382293

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene?
The IUPAC name of 1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene (CID 60777072) is 1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene?
The canonical SMILES for 1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene is O=S(=O)(Cc1ccccc1F)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene?
The InChIKey is GTGFGPAXIMEKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2S/c14-11-5-7-12(8-6-11)18(16,17)9-10-3-1-2-4-13(10)15/h1-8H,9H2.
What are the key properties of 1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene?
1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene has a molecular weight of 268.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene is sourced from PubChem (CID 60777072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).