2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene

C13H8F2O4S — CID 154879996

IUPAC2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene
SMILESO=C(c1ccccc1)c1cc(F)ccc1OS(=O)(=O)F
InChIInChI=1S/C13H8F2O4S/c14-10-6-7-12(19-20(15,17)18)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChIKeyXLGUUUPXIGTPSL-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.65
Rot. Bonds4

About 2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene

2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene (PubChem CID 154879996) has the molecular formula C13H8F2O4S and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene.

Molecular Properties

Compound Name2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene
PubChem CID154879996
Molecular FormulaC13H8F2O4S
Molecular Weight298.27 g/mol
Exact Mass298.01
IUPAC Name2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene
SMILESO=C(c1ccccc1)c1cc(F)ccc1OS(=O)(=O)F
InChIInChI=1S/C13H8F2O4S/c14-10-6-7-12(19-20(15,17)18)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChIKeyXLGUUUPXIGTPSL-UHFFFAOYSA-N
XLogP2.65
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
2-fluorosulfonyloxybenzoic acid
CID 130224552
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
(5-fluoro-2-isocyanatophenyl)-phenylmethanone
CID 169352277
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597
N-(2-benzoyl-4-fluorophenyl)formamide
CID 168651173
(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone
CID 70476980
[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-4-fluorophenyl]-phenylmethanone
CID 88695083
(4-fluorophenyl)-phenylmethanone
CID 161464622
2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine
CID 168601860
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene?
The IUPAC name of 2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene (CID 154879996) is 2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene.
What is the SMILES notation for 2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene?
The canonical SMILES for 2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene is O=C(c1ccccc1)c1cc(F)ccc1OS(=O)(=O)F.
What is the InChIKey of 2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene?
The InChIKey is XLGUUUPXIGTPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O4S/c14-10-6-7-12(19-20(15,17)18)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene?
2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene has a molecular weight of 298.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene is sourced from PubChem (CID 154879996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).