3-(difluoromethylsulfanyl)piperidine

C6H11F2NS — CID 84755047

IUPAC3-(difluoromethylsulfanyl)piperidine
SMILESFC(F)SC1CCCNC1
InChIInChI=1S/C6H11F2NS/c7-6(8)10-5-2-1-3-9-4-5/h5-6,9H,1-4H2
InChIKeyGBTZSYIINGQEQL-UHFFFAOYSA-N
MW167.22 g/mol
LogP1.69
Rot. Bonds2

About 3-(difluoromethylsulfanyl)piperidine

3-(difluoromethylsulfanyl)piperidine (PubChem CID 84755047) has the molecular formula C6H11F2NS and a molecular weight of 167.22 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)piperidine.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)piperidine
PubChem CID84755047
Molecular FormulaC6H11F2NS
Molecular Weight167.22 g/mol
Exact Mass167.06
IUPAC Name3-(difluoromethylsulfanyl)piperidine
SMILESFC(F)SC1CCCNC1
InChIInChI=1S/C6H11F2NS/c7-6(8)10-5-2-1-3-9-4-5/h5-6,9H,1-4H2
InChIKeyGBTZSYIINGQEQL-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methylsulfanyl)piperidine hydrochloride
CID 50998950
2-(Trifluoromethyl)thiomorpholine
CID 91618373
4-[(Trifluoromethyl)sulfanyl]piperidine hydrochloride
CID 91927161
4-Methylthiopiperidine
CID 17805752
4-(Trifluoromethylsulfonyl)piperidine
CID 66596407
4-{[(2,2,2-Trifluoroethyl)sulfanyl]methyl}piperidine hydrochloride
CID 66802878
4-(2,2,2-Trifluoroethylsulfanylmethyl)piperidine
CID 66802879
4-[(Trifluoromethyl)sulfanyl]piperidine
CID 75530531
3-Fluoro-4-methylsulfanylpiperidine
CID 90176868
(+/-)-cis-3-Fluoro-4-methylsulfanylpiperidine
CID 90183725
4-(2,2,2-Trifluoroethylsulfanyl)piperidine;hydrochloride
CID 118481424
(3S,4R)-3-fluoro-4-methylsulfanylpiperidine
CID 118661743

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)piperidine?
The IUPAC name of 3-(difluoromethylsulfanyl)piperidine (CID 84755047) is 3-(difluoromethylsulfanyl)piperidine.
What is the SMILES notation for 3-(difluoromethylsulfanyl)piperidine?
The canonical SMILES for 3-(difluoromethylsulfanyl)piperidine is FC(F)SC1CCCNC1.
What is the InChIKey of 3-(difluoromethylsulfanyl)piperidine?
The InChIKey is GBTZSYIINGQEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS/c7-6(8)10-5-2-1-3-9-4-5/h5-6,9H,1-4H2.
What are the key properties of 3-(difluoromethylsulfanyl)piperidine?
3-(difluoromethylsulfanyl)piperidine has a molecular weight of 167.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)piperidine is sourced from PubChem (CID 84755047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).