1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane

C9H11F3O2S — CID 143485097

IUPAC1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
SMILESCF.Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C8H8F2O2S.CH3F/c1-6-2-4-7(5-3-6)13(11,12)8(9)10;1-2/h2-5,8H,1H3;1H3
InChIKeyUCVWSCOVSRFLBV-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.58
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane

1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane (PubChem CID 143485097) has the molecular formula C9H11F3O2S and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
PubChem CID143485097
Molecular FormulaC9H11F3O2S
Molecular Weight240.25 g/mol
Exact Mass240.04
IUPAC Name1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
SMILESCF.Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C8H8F2O2S.CH3F/c1-6-2-4-7(5-3-6)13(11,12)8(9)10;1-2/h2-5,8H,1H3;1H3
InChIKeyUCVWSCOVSRFLBV-UHFFFAOYSA-N
XLogP2.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
CID 8913372
N-[2-[4-(difluoromethylsulfonyl)anilino]ethyl]-4-methylbenzenesulfonamide
CID 60500507
2-fluoro-2-(4-methylphenyl)sulfonylethanol
CID 115030535
4-(difluoromethylsulfonyl)aniline
CID 825467
1-bromo-4-(difluoromethylsulfonyl)benzene
CID 19959949
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
1-[(E)-1-fluoro-4-methylpent-2-enyl]sulfonyl-4-methylbenzene
CID 101142852
1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 47032733
fluoromethane;4-methylbenzenesulfonyl chloride
CID 91127409
4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
CID 43455286
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 78827274

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane?
The IUPAC name of 1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane (CID 143485097) is 1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane?
The canonical SMILES for 1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane is CF.Cc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane?
The InChIKey is UCVWSCOVSRFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2S.CH3F/c1-6-2-4-7(5-3-6)13(11,12)8(9)10;1-2/h2-5,8H,1H3;1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane?
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane has a molecular weight of 240.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane is sourced from PubChem (CID 143485097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).