2,3,4-trifluorobenzenesulfonyl fluoride

C6H2F4O2S — CID 99939044

IUPAC2,3,4-trifluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(F)c(F)c1F
InChIInChI=1S/C6H2F4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H
InChIKeyQSTVOESYDQCSJJ-UHFFFAOYSA-N
MW214.14 g/mol
LogP1.76
Rot. Bonds1

About 2,3,4-trifluorobenzenesulfonyl fluoride

2,3,4-trifluorobenzenesulfonyl fluoride (PubChem CID 99939044) has the molecular formula C6H2F4O2S and a molecular weight of 214.14 g/mol. Its IUPAC name is 2,3,4-trifluorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name2,3,4-trifluorobenzenesulfonyl fluoride
PubChem CID99939044
Molecular FormulaC6H2F4O2S
Molecular Weight214.14 g/mol
Exact Mass213.97
IUPAC Name2,3,4-trifluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(F)c(F)c1F
InChIInChI=1S/C6H2F4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H
InChIKeyQSTVOESYDQCSJJ-UHFFFAOYSA-N
XLogP1.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-difluorobenzenesulfonyl fluoride
CID 10867234
1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 60639503
2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502000
4-(chloromethyl)-2-fluorobenzenesulfonyl fluoride
CID 165465640
diphenyliodanium;2,3,4-trifluorobenzenesulfonate
CID 87588668
4-amino-2-fluorobenzenesulfonyl fluoride
CID 122164176
3-chloro-1,2-difluoro-4-methylsulfonylbenzene
CID 140551108
1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 43556384
N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
CID 115319073
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118102
(3-fluorophenyl) 2,3,4-trifluorobenzenesulfonate
CID 134017316
2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951370

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluorobenzenesulfonyl fluoride?
The IUPAC name of 2,3,4-trifluorobenzenesulfonyl fluoride (CID 99939044) is 2,3,4-trifluorobenzenesulfonyl fluoride.
What is the SMILES notation for 2,3,4-trifluorobenzenesulfonyl fluoride?
The canonical SMILES for 2,3,4-trifluorobenzenesulfonyl fluoride is O=S(=O)(F)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluorobenzenesulfonyl fluoride?
The InChIKey is QSTVOESYDQCSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H.
What are the key properties of 2,3,4-trifluorobenzenesulfonyl fluoride?
2,3,4-trifluorobenzenesulfonyl fluoride has a molecular weight of 214.14 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluorobenzenesulfonyl fluoride is sourced from PubChem (CID 99939044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).