1-ethylsulfonyl-4,4-difluoropiperidine

C7H13F2NO2S — CID 121184667

IUPAC1-ethylsulfonyl-4,4-difluoropiperidine
SMILESCCS(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2NO2S/c1-2-13(11,12)10-5-3-7(8,9)4-6-10/h2-6H2,1H3
InChIKeyFLIBUGQCLGMXRH-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.07
Rot. Bonds2

About 1-ethylsulfonyl-4,4-difluoropiperidine

1-ethylsulfonyl-4,4-difluoropiperidine (PubChem CID 121184667) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-ethylsulfonyl-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-4,4-difluoropiperidine
PubChem CID121184667
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name1-ethylsulfonyl-4,4-difluoropiperidine
SMILESCCS(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2NO2S/c1-2-13(11,12)10-5-3-7(8,9)4-6-10/h2-6H2,1H3
InChIKeyFLIBUGQCLGMXRH-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4,4-difluoropiperidine?
The IUPAC name of 1-ethylsulfonyl-4,4-difluoropiperidine (CID 121184667) is 1-ethylsulfonyl-4,4-difluoropiperidine.
What is the SMILES notation for 1-ethylsulfonyl-4,4-difluoropiperidine?
The canonical SMILES for 1-ethylsulfonyl-4,4-difluoropiperidine is CCS(=O)(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 1-ethylsulfonyl-4,4-difluoropiperidine?
The InChIKey is FLIBUGQCLGMXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-2-13(11,12)10-5-3-7(8,9)4-6-10/h2-6H2,1H3.
What are the key properties of 1-ethylsulfonyl-4,4-difluoropiperidine?
1-ethylsulfonyl-4,4-difluoropiperidine has a molecular weight of 213.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4,4-difluoropiperidine is sourced from PubChem (CID 121184667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).