3,3-difluoropiperidine-1-sulfonyl chloride

C5H8ClF2NO2S — CID 75530050

IUPAC3,3-difluoropiperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCC(F)(F)C1
InChIInChI=1S/C5H8ClF2NO2S/c6-12(10,11)9-3-1-2-5(7,8)4-9/h1-4H2
InChIKeyKQVAABHIYFTFQR-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.20
Rot. Bonds1

About 3,3-difluoropiperidine-1-sulfonyl chloride

3,3-difluoropiperidine-1-sulfonyl chloride (PubChem CID 75530050) has the molecular formula C5H8ClF2NO2S and a molecular weight of 219.64 g/mol. Its IUPAC name is 3,3-difluoropiperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3-difluoropiperidine-1-sulfonyl chloride
PubChem CID75530050
Molecular FormulaC5H8ClF2NO2S
Molecular Weight219.64 g/mol
Exact Mass218.99
IUPAC Name3,3-difluoropiperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCC(F)(F)C1
InChIInChI=1S/C5H8ClF2NO2S/c6-12(10,11)9-3-1-2-5(7,8)4-9/h1-4H2
InChIKeyKQVAABHIYFTFQR-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine-1-sulfonyl chloride
CID 11298344
Piperidine-1-sulfonyl fluoride
CID 12955991
1-(Trifluoromethylsulfonyl)piperidine
CID 11085234
4,4-Difluoropiperidine-1-sulfonyl chloride
CID 53256750
4-(Trifluoromethyl)piperidine-1-sulfonyl chloride
CID 65535206
2-(Trifluoromethyl)piperidine-1-sulfonyl chloride
CID 66570557
4-Fluoropiperidine-1-sulfonyl chloride
CID 53256753
4,4-Difluoropiperidine-1-sulfonamide
CID 58349820
1-(Difluoromethylsulfonyl)piperidine
CID 58435991
4,4-Difluoropiperidine-1-sulfinate
CID 89881608
4,4-Difluoropiperidine-1-sulfinic acid
CID 89881609
3-Fluoropiperidine-1-sulfinate
CID 117605594

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropiperidine-1-sulfonyl chloride?
The IUPAC name of 3,3-difluoropiperidine-1-sulfonyl chloride (CID 75530050) is 3,3-difluoropiperidine-1-sulfonyl chloride.
What is the SMILES notation for 3,3-difluoropiperidine-1-sulfonyl chloride?
The canonical SMILES for 3,3-difluoropiperidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoropiperidine-1-sulfonyl chloride?
The InChIKey is KQVAABHIYFTFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClF2NO2S/c6-12(10,11)9-3-1-2-5(7,8)4-9/h1-4H2.
What are the key properties of 3,3-difluoropiperidine-1-sulfonyl chloride?
3,3-difluoropiperidine-1-sulfonyl chloride has a molecular weight of 219.64 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropiperidine-1-sulfonyl chloride is sourced from PubChem (CID 75530050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).