1-(2,2-difluoroethylsulfonyl)piperidine

C7H13F2NO2S — CID 58436043

IUPAC1-(2,2-difluoroethylsulfonyl)piperidine
SMILESO=S(=O)(CC(F)F)N1CCCCC1
InChIInChI=1S/C7H13F2NO2S/c8-7(9)6-13(11,12)10-4-2-1-3-5-10/h7H,1-6H2
InChIKeyYZQKRDOJTBJUJT-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.07
Rot. Bonds3

About 1-(2,2-difluoroethylsulfonyl)piperidine

1-(2,2-difluoroethylsulfonyl)piperidine (PubChem CID 58436043) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethylsulfonyl)piperidine
PubChem CID58436043
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name1-(2,2-difluoroethylsulfonyl)piperidine
SMILESO=S(=O)(CC(F)F)N1CCCCC1
InChIInChI=1S/C7H13F2NO2S/c8-7(9)6-13(11,12)10-4-2-1-3-5-10/h7H,1-6H2
InChIKeyYZQKRDOJTBJUJT-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethylsulfonyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Trifluoromethylsulfonyl)piperidine
CID 11085234
1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
1-(Difluoroiodomethylsulfonyl)piperidine
CID 129823529
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
1-(3-Fluoropropylsulfonyl)piperidine
CID 129349168
2-Ethyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 57545274
1-[3,3-Difluoro-3-(trioxidanylsulfanyl)propyl]sulfonylpiperidine
CID 57616841
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244
1-(1,1-Difluoroethylsulfonyl)piperidine
CID 58122750
1-(2,2-Difluoropropylsulfonyl)piperidine
CID 58122780
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine
CID 58240386
1-(1,1,2,2,3,3-Hexafluoropentylsulfonyl)piperidine
CID 58291401

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylsulfonyl)piperidine?
The IUPAC name of 1-(2,2-difluoroethylsulfonyl)piperidine (CID 58436043) is 1-(2,2-difluoroethylsulfonyl)piperidine.
What is the SMILES notation for 1-(2,2-difluoroethylsulfonyl)piperidine?
The canonical SMILES for 1-(2,2-difluoroethylsulfonyl)piperidine is O=S(=O)(CC(F)F)N1CCCCC1.
What is the InChIKey of 1-(2,2-difluoroethylsulfonyl)piperidine?
The InChIKey is YZQKRDOJTBJUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c8-7(9)6-13(11,12)10-4-2-1-3-5-10/h7H,1-6H2.
What are the key properties of 1-(2,2-difluoroethylsulfonyl)piperidine?
1-(2,2-difluoroethylsulfonyl)piperidine has a molecular weight of 213.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylsulfonyl)piperidine is sourced from PubChem (CID 58436043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).