1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine

C8H13F2NO2S — CID 58291402

IUPAC1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine
SMILESCC(=C(F)F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H13F2NO2S/c1-7(8(9)10)14(12,13)11-5-3-2-4-6-11/h2-6H2,1H3
InChIKeyKKXDPDOCOYDBDM-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.93
Rot. Bonds2

About 1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine

1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine (PubChem CID 58291402) has the molecular formula C8H13F2NO2S and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine
PubChem CID58291402
Molecular FormulaC8H13F2NO2S
Molecular Weight225.26 g/mol
Exact Mass225.06
IUPAC Name1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine
SMILESCC(=C(F)F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H13F2NO2S/c1-7(8(9)10)14(12,13)11-5-3-2-4-6-11/h2-6H2,1H3
InChIKeyKKXDPDOCOYDBDM-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Trifluoromethylsulfonyl)piperidine
CID 11085234
1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244
1-(1,1-Difluoroethylsulfonyl)-2,6-dimethylpiperidine
CID 58122733
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
1,1,2,2,3,3-hexafluoro-N-methyl-3-piperidin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 58240456
2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide
CID 58291398
1-(1,1,2,2,3,3-Hexafluoropentylsulfonyl)piperidine
CID 58291401
1-(2,2-Difluoroethylsulfonyl)piperidine
CID 58436043

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine?
The IUPAC name of 1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine (CID 58291402) is 1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine.
What is the SMILES notation for 1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine?
The canonical SMILES for 1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine is CC(=C(F)F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine?
The InChIKey is KKXDPDOCOYDBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2S/c1-7(8(9)10)14(12,13)11-5-3-2-4-6-11/h2-6H2,1H3.
What are the key properties of 1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine?
1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine has a molecular weight of 225.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroprop-1-en-2-ylsulfonyl)piperidine is sourced from PubChem (CID 58291402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).