4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene

C8H6BrF3O2S — CID 136560911

IUPAC4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene
SMILESO=S(=O)(Cc1ccc(Br)cc1F)C(F)F
InChIInChI=1S/C8H6BrF3O2S/c9-6-2-1-5(7(10)3-6)4-15(13,14)8(11)12/h1-3,8H,4H2
InChIKeyLNNFXXOKTCBNBH-UHFFFAOYSA-N
MW303.10 g/mol
LogP2.73
Rot. Bonds3

About 4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene

4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene (PubChem CID 136560911) has the molecular formula C8H6BrF3O2S and a molecular weight of 303.10 g/mol. Its IUPAC name is 4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene
PubChem CID136560911
Molecular FormulaC8H6BrF3O2S
Molecular Weight303.10 g/mol
Exact Mass301.92
IUPAC Name4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene
SMILESO=S(=O)(Cc1ccc(Br)cc1F)C(F)F
InChIInChI=1S/C8H6BrF3O2S/c9-6-2-1-5(7(10)3-6)4-15(13,14)8(11)12/h1-3,8H,4H2
InChIKeyLNNFXXOKTCBNBH-UHFFFAOYSA-N
XLogP2.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
CID 604533
3-[(4-bromo-2-fluorophenyl)methylsulfonyl]-5-fluoroaniline
CID 81183627
1-(4-bromo-2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylmethanesulfonamide
CID 95789740
CID 88874839
CID 88874839
2-(4-bromo-2-fluorophenyl)acetaldehyde
CID 28875384
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
(5-bromo-2-fluorophenyl)methanesulfonamide
CID 61064236
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
CID 104513020
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54904757
1-(4-bromo-2-fluorophenyl)-3-methyl-3-methylsulfonylbutan-2-one
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3-amino-1-(4-bromo-2-fluorophenyl)butan-2-one
CID 116551805

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene?
The IUPAC name of 4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene (CID 136560911) is 4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene is O=S(=O)(Cc1ccc(Br)cc1F)C(F)F.
What is the InChIKey of 4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene?
The InChIKey is LNNFXXOKTCBNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O2S/c9-6-2-1-5(7(10)3-6)4-15(13,14)8(11)12/h1-3,8H,4H2.
What are the key properties of 4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene?
4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene has a molecular weight of 303.10 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(difluoromethylsulfonylmethyl)-2-fluorobenzene is sourced from PubChem (CID 136560911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).