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

C6H10ClF2NO2S — CID 165496266

IUPAC4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride
SMILESCC1CC(F)(F)CCN1S(=O)(=O)Cl
InChIInChI=1S/C6H10ClF2NO2S/c1-5-4-6(8,9)2-3-10(5)13(7,11)12/h5H,2-4H2,1H3
InChIKeyHTSONDYBKRASJQ-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.59
Rot. Bonds1

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

4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride (PubChem CID 165496266) has the molecular formula C6H10ClF2NO2S and a molecular weight of 233.67 g/mol. Its IUPAC name is 4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride
PubChem CID165496266
Molecular FormulaC6H10ClF2NO2S
Molecular Weight233.67 g/mol
Exact Mass233.01
IUPAC Name4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride
SMILESCC1CC(F)(F)CCN1S(=O)(=O)Cl
InChIInChI=1S/C6H10ClF2NO2S/c1-5-4-6(8,9)2-3-10(5)13(7,11)12/h5H,2-4H2,1H3
InChIKeyHTSONDYBKRASJQ-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride?
The IUPAC name of 4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride (CID 165496266) is 4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride.
What is the SMILES notation for 4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride?
The canonical SMILES for 4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride is CC1CC(F)(F)CCN1S(=O)(=O)Cl.
What is the InChIKey of 4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride?
The InChIKey is HTSONDYBKRASJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2NO2S/c1-5-4-6(8,9)2-3-10(5)13(7,11)12/h5H,2-4H2,1H3.
What are the key properties of 4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride?
4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride has a molecular weight of 233.67 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methylpiperidine-1-sulfonyl chloride is sourced from PubChem (CID 165496266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).