1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride

C8H4BrCl2F3O2S — CID 114827470

IUPAC1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(c1ccc(Cl)cc1Br)C(F)(F)F
InChIInChI=1S/C8H4BrCl2F3O2S/c9-6-3-4(10)1-2-5(6)7(8(12,13)14)17(11,15)16/h1-3,7H
InChIKeyZXXOUKFUTLHCFV-UHFFFAOYSA-N
MW371.99 g/mol
LogP4.27
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride

1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride (PubChem CID 114827470) has the molecular formula C8H4BrCl2F3O2S and a molecular weight of 371.99 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride
PubChem CID114827470
Molecular FormulaC8H4BrCl2F3O2S
Molecular Weight371.99 g/mol
Exact Mass369.84
IUPAC Name1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(c1ccc(Cl)cc1Br)C(F)(F)F
InChIInChI=1S/C8H4BrCl2F3O2S/c9-6-3-4(10)1-2-5(6)7(8(12,13)14)17(11,15)16/h1-3,7H
InChIKeyZXXOUKFUTLHCFV-UHFFFAOYSA-N
XLogP4.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.99
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Bromo-4-chlorophenyl)methanesulfonyl chloride
CID 71683197
(2-Bromo-5-chlorophenyl)methanesulfonyl chloride
CID 66157488
(4-Bromo-2-chlorophenyl)methanesulfonyl chloride
CID 83748714
(2-Bromo-6-chlorophenyl)methanesulfonyl chloride
CID 117488799
2-Bromo-4-chloro-1-(5,5-difluoropenta-3,4-dienyl)benzene
CID 176437695
2-(4-Chlorophenyl)-2,2-difluoroethanesulfonyl chloride
CID 58677275
2-Bromo-4-chloro-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)benzene
CID 150610926
3-Bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride
CID 162718605
2-(4-Bromo-2-chloro-5-methylphenyl)-3,3,3-trifluoro-2-methylpropane-1-sulfonic acid
CID 170347290
3-(3-Bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride
CID 175187482
2-Bromo-4-chloro-1-(2,2,2-trifluoroethyl)benzene
CID 91883101
1-(4-Bromo-3-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride
CID 108394946

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride (CID 114827470) is 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride is O=S(=O)(Cl)C(c1ccc(Cl)cc1Br)C(F)(F)F.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride?
The InChIKey is ZXXOUKFUTLHCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2F3O2S/c9-6-3-4(10)1-2-5(6)7(8(12,13)14)17(11,15)16/h1-3,7H.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride?
1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride has a molecular weight of 371.99 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonyl chloride is sourced from PubChem (CID 114827470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).