2,2-difluoro-4-methylpentane-1-sulfonyl chloride

C6H11ClF2O2S — CID 105476859

IUPAC2,2-difluoro-4-methylpentane-1-sulfonyl chloride
SMILESCC(C)CC(F)(F)CS(=O)(=O)Cl
InChIInChI=1S/C6H11ClF2O2S/c1-5(2)3-6(8,9)4-12(7,10)11/h5H,3-4H2,1-2H3
InChIKeySKJUFEFXYIERQF-UHFFFAOYSA-N
MW220.67 g/mol
LogP2.24
Rot. Bonds4

About 2,2-difluoro-4-methylpentane-1-sulfonyl chloride

2,2-difluoro-4-methylpentane-1-sulfonyl chloride (PubChem CID 105476859) has the molecular formula C6H11ClF2O2S and a molecular weight of 220.67 g/mol. Its IUPAC name is 2,2-difluoro-4-methylpentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,2-difluoro-4-methylpentane-1-sulfonyl chloride
PubChem CID105476859
Molecular FormulaC6H11ClF2O2S
Molecular Weight220.67 g/mol
Exact Mass220.01
IUPAC Name2,2-difluoro-4-methylpentane-1-sulfonyl chloride
SMILESCC(C)CC(F)(F)CS(=O)(=O)Cl
InChIInChI=1S/C6H11ClF2O2S/c1-5(2)3-6(8,9)4-12(7,10)11/h5H,3-4H2,1-2H3
InChIKeySKJUFEFXYIERQF-UHFFFAOYSA-N
XLogP2.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.67
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methylpentane-1-sulfonyl chloride?
The IUPAC name of 2,2-difluoro-4-methylpentane-1-sulfonyl chloride (CID 105476859) is 2,2-difluoro-4-methylpentane-1-sulfonyl chloride.
What is the SMILES notation for 2,2-difluoro-4-methylpentane-1-sulfonyl chloride?
The canonical SMILES for 2,2-difluoro-4-methylpentane-1-sulfonyl chloride is CC(C)CC(F)(F)CS(=O)(=O)Cl.
What is the InChIKey of 2,2-difluoro-4-methylpentane-1-sulfonyl chloride?
The InChIKey is SKJUFEFXYIERQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClF2O2S/c1-5(2)3-6(8,9)4-12(7,10)11/h5H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-4-methylpentane-1-sulfonyl chloride?
2,2-difluoro-4-methylpentane-1-sulfonyl chloride has a molecular weight of 220.67 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methylpentane-1-sulfonyl chloride is sourced from PubChem (CID 105476859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).