5,5-difluoro-2-(methylsulfonylmethyl)piperidine

C7H13F2NO2S — CID 105466686

IUPAC5,5-difluoro-2-(methylsulfonylmethyl)piperidine
SMILESCS(=O)(=O)CC1CCC(F)(F)CN1
InChIInChI=1S/C7H13F2NO2S/c1-13(11,12)4-6-2-3-7(8,9)5-10-6/h6,10H,2-5H2,1H3
InChIKeyADNYEBONZGORLM-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.42
Rot. Bonds2

About 5,5-difluoro-2-(methylsulfonylmethyl)piperidine

5,5-difluoro-2-(methylsulfonylmethyl)piperidine (PubChem CID 105466686) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 5,5-difluoro-2-(methylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name5,5-difluoro-2-(methylsulfonylmethyl)piperidine
PubChem CID105466686
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name5,5-difluoro-2-(methylsulfonylmethyl)piperidine
SMILESCS(=O)(=O)CC1CCC(F)(F)CN1
InChIInChI=1S/C7H13F2NO2S/c1-13(11,12)4-6-2-3-7(8,9)5-10-6/h6,10H,2-5H2,1H3
InChIKeyADNYEBONZGORLM-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,5-difluoropiperidin-2-yl)methanamine
CID 171530972
[(2S)-5,5-difluoropiperidin-2-yl]methanol
CID 97357063
5,5-difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
tert-butyl formate;[(2S)-5,5-difluoropiperidin-2-yl]methanol
CID 174758740
(2R)-2-[(4-chlorophenyl)methyl]-5,5-difluoropiperidine;hydrochloride
CID 155765954
3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine
CID 105452015
(2S)-5,5-difluoropiperidine-2-carboxylic acid
CID 45082546
1-(4,4-difluorocyclohexyl)-4-methylsulfonylbutan-1-one
CID 105084255
(4,4-difluorocyclohexyl)methanesulfonic acid
CID 154021800
(2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine
CID 155290058
[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride
CID 74890069

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-(methylsulfonylmethyl)piperidine?
The IUPAC name of 5,5-difluoro-2-(methylsulfonylmethyl)piperidine (CID 105466686) is 5,5-difluoro-2-(methylsulfonylmethyl)piperidine.
What is the SMILES notation for 5,5-difluoro-2-(methylsulfonylmethyl)piperidine?
The canonical SMILES for 5,5-difluoro-2-(methylsulfonylmethyl)piperidine is CS(=O)(=O)CC1CCC(F)(F)CN1.
What is the InChIKey of 5,5-difluoro-2-(methylsulfonylmethyl)piperidine?
The InChIKey is ADNYEBONZGORLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-13(11,12)4-6-2-3-7(8,9)5-10-6/h6,10H,2-5H2,1H3.
What are the key properties of 5,5-difluoro-2-(methylsulfonylmethyl)piperidine?
5,5-difluoro-2-(methylsulfonylmethyl)piperidine has a molecular weight of 213.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-(methylsulfonylmethyl)piperidine is sourced from PubChem (CID 105466686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).