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

C7H13F2NS — CID 105439598

IUPAC5,5-difluoro-2-(methylsulfanylmethyl)piperidine
SMILESCSCC1CCC(F)(F)CN1
InChIInChI=1S/C7H13F2NS/c1-11-4-6-2-3-7(8,9)5-10-6/h6,10H,2-5H2,1H3
InChIKeyKJFHCKMFBJGWGX-UHFFFAOYSA-N
MW181.25 g/mol
LogP1.74
Rot. Bonds2

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

5,5-difluoro-2-(methylsulfanylmethyl)piperidine (PubChem CID 105439598) has the molecular formula C7H13F2NS and a molecular weight of 181.25 g/mol. Its IUPAC name is 5,5-difluoro-2-(methylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name5,5-difluoro-2-(methylsulfanylmethyl)piperidine
PubChem CID105439598
Molecular FormulaC7H13F2NS
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Name5,5-difluoro-2-(methylsulfanylmethyl)piperidine
SMILESCSCC1CCC(F)(F)CN1
InChIInChI=1S/C7H13F2NS/c1-11-4-6-2-3-7(8,9)5-10-6/h6,10H,2-5H2,1H3
InChIKeyKJFHCKMFBJGWGX-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Trifluoromethyl)sulfanyl]piperidine hydrochloride
CID 91927161
4-[(Trifluoromethyl)sulfanyl]piperidine
CID 75530531
3-Fluoro-4-methylsulfanylpiperidine
CID 90176868
(+/-)-cis-3-Fluoro-4-methylsulfanylpiperidine
CID 90183725
4,4-Difluoro-2-(methylsulfanylmethyl)pyrrolidine
CID 105433517
4-(2,2,2-Trifluoroethylsulfanyl)piperidine;hydrochloride
CID 118481424
(3S,4R)-3-fluoro-4-methylsulfanylpiperidine
CID 118661743
2-Fluoro-6-methylpiperidine-3-thiol
CID 141908819
(4S)-3-fluoro-4-methylsulfanylpiperidine
CID 144632945
3-Ethylsulfanyl-4,4-difluoro-1-methanidylpiperidin-1-ium
CID 147896098
(3R,4R)-3-fluoro-4-methylsulfanylpiperidine
CID 152657273
6-(Trifluoromethyl)piperidine-3-thiol
CID 170182634

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-(methylsulfanylmethyl)piperidine?
The IUPAC name of 5,5-difluoro-2-(methylsulfanylmethyl)piperidine (CID 105439598) is 5,5-difluoro-2-(methylsulfanylmethyl)piperidine.
What is the SMILES notation for 5,5-difluoro-2-(methylsulfanylmethyl)piperidine?
The canonical SMILES for 5,5-difluoro-2-(methylsulfanylmethyl)piperidine is CSCC1CCC(F)(F)CN1.
What is the InChIKey of 5,5-difluoro-2-(methylsulfanylmethyl)piperidine?
The InChIKey is KJFHCKMFBJGWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NS/c1-11-4-6-2-3-7(8,9)5-10-6/h6,10H,2-5H2,1H3.
What are the key properties of 5,5-difluoro-2-(methylsulfanylmethyl)piperidine?
5,5-difluoro-2-(methylsulfanylmethyl)piperidine has a molecular weight of 181.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-(methylsulfanylmethyl)piperidine is sourced from PubChem (CID 105439598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).