(1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene

C12H16F2O2S — CID 163297663

IUPAC(1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene
SMILESCC(C)C(C)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16F2O2S/c1-9(2)10(3)12(13,14)17(15,16)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyIQULJJONAPTSDW-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.35
Rot. Bonds4

About (1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene

(1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene (PubChem CID 163297663) has the molecular formula C12H16F2O2S and a molecular weight of 262.32 g/mol. Its IUPAC name is (1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene.

Molecular Properties

Compound Name(1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene
PubChem CID163297663
Molecular FormulaC12H16F2O2S
Molecular Weight262.32 g/mol
Exact Mass262.08
IUPAC Name(1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene
SMILESCC(C)C(C)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16F2O2S/c1-9(2)10(3)12(13,14)17(15,16)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyIQULJJONAPTSDW-UHFFFAOYSA-N
XLogP3.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fluoresone
CID 71814
(Ethylsulphonyl)benzene
CID 69032
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
Butyl phenyl sulfone
CID 238507
((1-Methylethyl)sulfonyl)benzene
CID 199476
Phenyl t-butyl sulfone
CID 138142
Phenyl Trifluoromethyl Sulfone
CID 555605
1-Fluoro-4-trifluoromethanesulfonylbenzene
CID 3685201
Difluoromethanesulfonylbenzene
CID 11816356
Bromodifluoromethanesulfonylbenzene
CID 11119175
1-Fluoro-2-(trifluoromethylsulfonyl)benzene
CID 15731661
1-Tert-butylsulfanyl-2-tert-butylsulfonylbenzene
CID 778812

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene?
The IUPAC name of (1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene (CID 163297663) is (1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene.
What is the SMILES notation for (1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene?
The canonical SMILES for (1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene is CC(C)C(C)C(F)(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene?
The InChIKey is IQULJJONAPTSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2S/c1-9(2)10(3)12(13,14)17(15,16)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of (1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene?
(1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene has a molecular weight of 262.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2,3-dimethylbutyl)sulfonylbenzene is sourced from PubChem (CID 163297663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).