1,1-difluoro-2-methylpropane-2-sulfonyl chloride

C4H7ClF2O2S — CID 105446601

IUPAC1,1-difluoro-2-methylpropane-2-sulfonyl chloride
SMILESCC(C)(C(F)F)S(=O)(=O)Cl
InChIInChI=1S/C4H7ClF2O2S/c1-4(2,3(6)7)10(5,8)9/h3H,1-2H3
InChIKeyOOFNNCQNKYITDZ-UHFFFAOYSA-N
MW192.61 g/mol
LogP1.60
Rot. Bonds2

About 1,1-difluoro-2-methylpropane-2-sulfonyl chloride

1,1-difluoro-2-methylpropane-2-sulfonyl chloride (PubChem CID 105446601) has the molecular formula C4H7ClF2O2S and a molecular weight of 192.61 g/mol. Its IUPAC name is 1,1-difluoro-2-methylpropane-2-sulfonyl chloride.

Molecular Properties

Compound Name1,1-difluoro-2-methylpropane-2-sulfonyl chloride
PubChem CID105446601
Molecular FormulaC4H7ClF2O2S
Molecular Weight192.61 g/mol
Exact Mass191.98
IUPAC Name1,1-difluoro-2-methylpropane-2-sulfonyl chloride
SMILESCC(C)(C(F)F)S(=O)(=O)Cl
InChIInChI=1S/C4H7ClF2O2S/c1-4(2,3(6)7)10(5,8)9/h3H,1-2H3
InChIKeyOOFNNCQNKYITDZ-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Difluorobutane-1-sulfonyl chloride
CID 84664403
3,3,3-Trifluoro-2-methylpropane-1-sulfonyl chloride
CID 84723207
2,2-Difluorobutane-1-sulfonyl chloride
CID 105446602
1-(Difluoromethyl)cyclopropane-1-sulfonyl chloride
CID 131316551
3,3-Difluoro-2,2-dimethylpropane-1-sulfonyl chloride
CID 84674725
3,3,3-Trifluoro-2,2-dimethylpropane-1-sulfonyl chloride
CID 84725562
Trifluoromethyl 2-methylpropane-2-sulfonate
CID 14681965
1,1,2,2-Tetrafluorobutane-1-sulfonate
CID 20734473
1,1,1,3,3,3-Hexafluoro-2-methylpropane-2-sulfonic acid
CID 21946958
2-Methyl-2-(trifluoromethylsulfonyl)propane
CID 23615104
1,1,1-Trifluorobutane-2-sulfonyl chloride
CID 54234646
Fluoro 1,1-difluoropropane-1-sulfonate
CID 57017022

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylpropane-2-sulfonyl chloride?
The IUPAC name of 1,1-difluoro-2-methylpropane-2-sulfonyl chloride (CID 105446601) is 1,1-difluoro-2-methylpropane-2-sulfonyl chloride.
What is the SMILES notation for 1,1-difluoro-2-methylpropane-2-sulfonyl chloride?
The canonical SMILES for 1,1-difluoro-2-methylpropane-2-sulfonyl chloride is CC(C)(C(F)F)S(=O)(=O)Cl.
What is the InChIKey of 1,1-difluoro-2-methylpropane-2-sulfonyl chloride?
The InChIKey is OOFNNCQNKYITDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClF2O2S/c1-4(2,3(6)7)10(5,8)9/h3H,1-2H3.
What are the key properties of 1,1-difluoro-2-methylpropane-2-sulfonyl chloride?
1,1-difluoro-2-methylpropane-2-sulfonyl chloride has a molecular weight of 192.61 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylpropane-2-sulfonyl chloride is sourced from PubChem (CID 105446601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).