4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride

C7H3BrF4O2S — CID 98462913

IUPAC4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H3BrF4O2S/c8-4-1-2-6(15(12,13)14)5(3-4)7(9,10)11/h1-3H
InChIKeyCNHUESBPMWPAET-UHFFFAOYSA-N
MW307.06 g/mol
LogP3.13
Rot. Bonds1

About 4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride

4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride (PubChem CID 98462913) has the molecular formula C7H3BrF4O2S and a molecular weight of 307.06 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride
PubChem CID98462913
Molecular FormulaC7H3BrF4O2S
Molecular Weight307.06 g/mol
Exact Mass305.90
IUPAC Name4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H3BrF4O2S/c8-4-1-2-6(15(12,13)14)5(3-4)7(9,10)11/h1-3H
InChIKeyCNHUESBPMWPAET-UHFFFAOYSA-N
XLogP3.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.06
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromophenyl-difluoromethanesulfonamide
CID 11687831
2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride
CID 2778611
4-Bromo-2-methylbenzenesulfonyl chloride
CID 2781338
4-Bromo-2-ethylbenzenesulfonyl chloride
CID 2737536
4-Bromo-2-(trifluoromethyl)benzenesulfonamide
CID 2778392
4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride
CID 2778606
4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride
CID 2778608
3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride
CID 2778610
4-Bromo-5-fluoro-2-methylbenzene-1-sulfonyl chloride
CID 50997996
4-Bromo-2-fluoro-6-methylbenzene-1-sulfonyl chloride
CID 138989362
2-Bromo-4-(trifluoromethyl)benzenesulfonyl fluoride
CID 98462907
2-Bromo-6-fluoro-4-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 145913467

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride?
The IUPAC name of 4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride (CID 98462913) is 4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride?
The canonical SMILES for 4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride?
The InChIKey is CNHUESBPMWPAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4O2S/c8-4-1-2-6(15(12,13)14)5(3-4)7(9,10)11/h1-3H.
What are the key properties of 4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride?
4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride has a molecular weight of 307.06 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethyl)benzenesulfonyl fluoride is sourced from PubChem (CID 98462913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).