2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride

C7H3BrF4O2S — CID 98462907

IUPAC2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C7H3BrF4O2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H
InChIKeyDVDPGVYCZZAPAK-UHFFFAOYSA-N
MW307.06 g/mol
LogP3.13
Rot. Bonds1

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

2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride (PubChem CID 98462907) has the molecular formula C7H3BrF4O2S and a molecular weight of 307.06 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride
PubChem CID98462907
Molecular FormulaC7H3BrF4O2S
Molecular Weight307.06 g/mol
Exact Mass305.90
IUPAC Name2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C7H3BrF4O2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H
InChIKeyDVDPGVYCZZAPAK-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride?
The IUPAC name of 2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride (CID 98462907) is 2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride.
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride?
The InChIKey is DVDPGVYCZZAPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4O2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H.
What are the key properties of 2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride?
2-bromo-4-(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 2-bromo-4-(trifluoromethyl)benzenesulfonyl fluoride is sourced from PubChem (CID 98462907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).