3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride

C5H9ClF2O2S — CID 84674725

IUPAC3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCC(C)(CS(=O)(=O)Cl)C(F)F
InChIInChI=1S/C5H9ClF2O2S/c1-5(2,4(7)8)3-11(6,9)10/h4H,3H2,1-2H3
InChIKeyXZWPNUGBFGDLOG-UHFFFAOYSA-N
MW206.64 g/mol
LogP1.85
Rot. Bonds3

About 3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride

3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride (PubChem CID 84674725) has the molecular formula C5H9ClF2O2S and a molecular weight of 206.64 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride
PubChem CID84674725
Molecular FormulaC5H9ClF2O2S
Molecular Weight206.64 g/mol
Exact Mass206.00
IUPAC Name3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride
SMILESCC(C)(CS(=O)(=O)Cl)C(F)F
InChIInChI=1S/C5H9ClF2O2S/c1-5(2,4(7)8)3-11(6,9)10/h4H,3H2,1-2H3
InChIKeyXZWPNUGBFGDLOG-UHFFFAOYSA-N
XLogP1.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride?
The IUPAC name of 3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride (CID 84674725) is 3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride?
The canonical SMILES for 3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride is CC(C)(CS(=O)(=O)Cl)C(F)F.
What is the InChIKey of 3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride?
The InChIKey is XZWPNUGBFGDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClF2O2S/c1-5(2,4(7)8)3-11(6,9)10/h4H,3H2,1-2H3.
What are the key properties of 3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride?
3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride has a molecular weight of 206.64 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride is sourced from PubChem (CID 84674725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).