3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane

C8H14F4O2S — CID 174646799

IUPAC3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane
SMILESCC(CS(=O)(=O)CC(C)C(F)F)C(F)F
InChIInChI=1S/C8H14F4O2S/c1-5(7(9)10)3-15(13,14)4-6(2)8(11)12/h5-8H,3-4H2,1-2H3
InChIKeyUQDJXLVCQNECNN-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.20
Rot. Bonds6

About 3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane

3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane (PubChem CID 174646799) has the molecular formula C8H14F4O2S and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane.

Molecular Properties

Compound Name3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane
PubChem CID174646799
Molecular FormulaC8H14F4O2S
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane
SMILESCC(CS(=O)(=O)CC(C)C(F)F)C(F)F
InChIInChI=1S/C8H14F4O2S/c1-5(7(9)10)3-15(13,14)4-6(2)8(11)12/h5-8H,3-4H2,1-2H3
InChIKeyUQDJXLVCQNECNN-UHFFFAOYSA-N
XLogP2.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-(2-fluoropropylsulfonyl)propane
CID 87624365
1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane
CID 88834711
1-ethylsulfonyl-2,3-dimethylbutane
CID 150789687
3-(2-fluoropropylsulfonyl)propan-1-amine
CID 84659191
2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
2,3-dimethyl-1-propylsulfonylbutane
CID 172857975
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
5-chloro-1-ethylsulfonyl-4-methylhexane
CID 65095780
1,4,4-trifluoro-3-methylbutan-1-ol
CID 142508491
ethane-1,1-diol;fluoromethanesulfonic acid
CID 87128075
(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
CID 176965974
1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine
CID 115901521

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane?
The IUPAC name of 3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane (CID 174646799) is 3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane.
What is the SMILES notation for 3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane?
The canonical SMILES for 3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane is CC(CS(=O)(=O)CC(C)C(F)F)C(F)F.
What is the InChIKey of 3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane?
The InChIKey is UQDJXLVCQNECNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O2S/c1-5(7(9)10)3-15(13,14)4-6(2)8(11)12/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane?
3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane has a molecular weight of 250.26 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoro-2-methylpropyl)sulfonyl-1,1-difluoro-2-methylpropane is sourced from PubChem (CID 174646799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).