4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride

C7H3BrF4O3S — CID 99939021

IUPAC4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C7H3BrF4O3S/c8-4-1-2-6(16(12,13)14)5(3-4)15-7(9,10)11/h1-3H
InChIKeyWWXPNOFROLLPOF-UHFFFAOYSA-N
MW323.06 g/mol
LogP3.01
Rot. Bonds2

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

4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride (PubChem CID 99939021) has the molecular formula C7H3BrF4O3S and a molecular weight of 323.06 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride
PubChem CID99939021
Molecular FormulaC7H3BrF4O3S
Molecular Weight323.06 g/mol
Exact Mass321.89
IUPAC Name4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C7H3BrF4O3S/c8-4-1-2-6(16(12,13)14)5(3-4)15-7(9,10)11/h1-3H
InChIKeyWWXPNOFROLLPOF-UHFFFAOYSA-N
XLogP3.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.06
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-(Trifluoromethoxy)Benzene-1-Sulfonyl Chloride
CID 2736421
4-Bromo-2-(trifluoromethoxy)thiophenol
CID 2736425
4-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 18754952
4-Bromo-2-(trifluoromethoxy)benzene-1-sulfonamide
CID 46738066
2-Bromo-4-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 50998018
5-Bromo-2-(trifluoromethoxy)benzene-1-sulfonamide
CID 53836106
5-Bromo-2-methoxybenzene-1-sulfonyl fluoride
CID 82305399
4-Bromo-5-fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 71758216
3-Bromo-5-(trifluoromethoxy)benzenesulfonyl chloride
CID 86811465
2-Bromo-6-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 137965788
5-Bromo-3-fluoro-2-methoxybenzenesulfonyl fluoride
CID 138989258
3-Bromo-5-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 165606263

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride?
The IUPAC name of 4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride (CID 99939021) is 4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride.
What is the SMILES notation for 4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride?
The canonical SMILES for 4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride?
The InChIKey is WWXPNOFROLLPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4O3S/c8-4-1-2-6(16(12,13)14)5(3-4)15-7(9,10)11/h1-3H.
What are the key properties of 4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride?
4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride has a molecular weight of 323.06 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethoxy)benzenesulfonyl fluoride is sourced from PubChem (CID 99939021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).