1-bromo-4-(difluoromethylsulfonyl)benzene

C7H5BrF2O2S — CID 19959949

IUPAC1-bromo-4-(difluoromethylsulfonyl)benzene
SMILESO=S(=O)(c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C7H5BrF2O2S/c8-5-1-3-6(4-2-5)13(11,12)7(9)10/h1-4,7H
InChIKeyLILXEWHLJBFHDS-UHFFFAOYSA-N
MW271.08 g/mol
LogP2.45
Rot. Bonds2

About 1-bromo-4-(difluoromethylsulfonyl)benzene

1-bromo-4-(difluoromethylsulfonyl)benzene (PubChem CID 19959949) has the molecular formula C7H5BrF2O2S and a molecular weight of 271.08 g/mol. Its IUPAC name is 1-bromo-4-(difluoromethylsulfonyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(difluoromethylsulfonyl)benzene
PubChem CID19959949
Molecular FormulaC7H5BrF2O2S
Molecular Weight271.08 g/mol
Exact Mass269.92
IUPAC Name1-bromo-4-(difluoromethylsulfonyl)benzene
SMILESO=S(=O)(c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C7H5BrF2O2S/c8-5-1-3-6(4-2-5)13(11,12)7(9)10/h1-4,7H
InChIKeyLILXEWHLJBFHDS-UHFFFAOYSA-N
XLogP2.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethylsulfonyl)aniline
CID 825467
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
1-bromo-3-(difluoromethylsulfonyl)benzene
CID 102538433
barium(2+);bis(4-bromobenzenesulfonate)
CID 139842323
1-(3-bromobutan-2-yl)-4-(difluoromethylsulfonyl)benzene
CID 63203702
1-bromo-4-(2,2-difluoroethylsulfonyl)benzene
CID 84715319
CID 162598602
CID 162598602
O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine
CID 79421360
4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
CID 43455286
N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfonyl)aniline
CID 43683904
3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine
CID 63198079
4-bromobenzenesulfonyl chloride
CID 174561770

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(difluoromethylsulfonyl)benzene?
The IUPAC name of 1-bromo-4-(difluoromethylsulfonyl)benzene (CID 19959949) is 1-bromo-4-(difluoromethylsulfonyl)benzene.
What is the SMILES notation for 1-bromo-4-(difluoromethylsulfonyl)benzene?
The canonical SMILES for 1-bromo-4-(difluoromethylsulfonyl)benzene is O=S(=O)(c1ccc(Br)cc1)C(F)F.
What is the InChIKey of 1-bromo-4-(difluoromethylsulfonyl)benzene?
The InChIKey is LILXEWHLJBFHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O2S/c8-5-1-3-6(4-2-5)13(11,12)7(9)10/h1-4,7H.
What are the key properties of 1-bromo-4-(difluoromethylsulfonyl)benzene?
1-bromo-4-(difluoromethylsulfonyl)benzene has a molecular weight of 271.08 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(difluoromethylsulfonyl)benzene is sourced from PubChem (CID 19959949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).