3,3-difluoro-4-(methylsulfonylmethyl)piperidine

C7H13F2NO2S — CID 105466685

IUPAC3,3-difluoro-4-(methylsulfonylmethyl)piperidine
SMILESCS(=O)(=O)CC1CCNCC1(F)F
InChIInChI=1S/C7H13F2NO2S/c1-13(11,12)4-6-2-3-10-5-7(6,8)9/h6,10H,2-5H2,1H3
InChIKeyPPFAJVWTUMSOTF-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.28
Rot. Bonds2

About 3,3-difluoro-4-(methylsulfonylmethyl)piperidine

3,3-difluoro-4-(methylsulfonylmethyl)piperidine (PubChem CID 105466685) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 3,3-difluoro-4-(methylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-(methylsulfonylmethyl)piperidine
PubChem CID105466685
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name3,3-difluoro-4-(methylsulfonylmethyl)piperidine
SMILESCS(=O)(=O)CC1CCNCC1(F)F
InChIInChI=1S/C7H13F2NO2S/c1-13(11,12)4-6-2-3-10-5-7(6,8)9/h6,10H,2-5H2,1H3
InChIKeyPPFAJVWTUMSOTF-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(methylsulfonylmethyl)piperidine?
The IUPAC name of 3,3-difluoro-4-(methylsulfonylmethyl)piperidine (CID 105466685) is 3,3-difluoro-4-(methylsulfonylmethyl)piperidine.
What is the SMILES notation for 3,3-difluoro-4-(methylsulfonylmethyl)piperidine?
The canonical SMILES for 3,3-difluoro-4-(methylsulfonylmethyl)piperidine is CS(=O)(=O)CC1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-(methylsulfonylmethyl)piperidine?
The InChIKey is PPFAJVWTUMSOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-13(11,12)4-6-2-3-10-5-7(6,8)9/h6,10H,2-5H2,1H3.
What are the key properties of 3,3-difluoro-4-(methylsulfonylmethyl)piperidine?
3,3-difluoro-4-(methylsulfonylmethyl)piperidine has a molecular weight of 213.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(methylsulfonylmethyl)piperidine is sourced from PubChem (CID 105466685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).