4,4-difluoro-3-(thian-3-yl)piperidine

C10H17F2NS — CID 115032894

IUPAC4,4-difluoro-3-(thian-3-yl)piperidine
SMILESFC1(F)CCNCC1C1CCCSC1
InChIInChI=1S/C10H17F2NS/c11-10(12)3-4-13-6-9(10)8-2-1-5-14-7-8/h8-9,13H,1-7H2
InChIKeyQOTDVDUJUKTRNS-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.37
Rot. Bonds1

About 4,4-difluoro-3-(thian-3-yl)piperidine

4,4-difluoro-3-(thian-3-yl)piperidine (PubChem CID 115032894) has the molecular formula C10H17F2NS and a molecular weight of 221.32 g/mol. Its IUPAC name is 4,4-difluoro-3-(thian-3-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-(thian-3-yl)piperidine
PubChem CID115032894
Molecular FormulaC10H17F2NS
Molecular Weight221.32 g/mol
Exact Mass221.10
IUPAC Name4,4-difluoro-3-(thian-3-yl)piperidine
SMILESFC1(F)CCNCC1C1CCCSC1
InChIInChI=1S/C10H17F2NS/c11-10(12)3-4-13-6-9(10)8-2-1-5-14-7-8/h8-9,13H,1-7H2
InChIKeyQOTDVDUJUKTRNS-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(thian-3-yl)piperidine?
The IUPAC name of 4,4-difluoro-3-(thian-3-yl)piperidine (CID 115032894) is 4,4-difluoro-3-(thian-3-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-3-(thian-3-yl)piperidine?
The canonical SMILES for 4,4-difluoro-3-(thian-3-yl)piperidine is FC1(F)CCNCC1C1CCCSC1.
What is the InChIKey of 4,4-difluoro-3-(thian-3-yl)piperidine?
The InChIKey is QOTDVDUJUKTRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NS/c11-10(12)3-4-13-6-9(10)8-2-1-5-14-7-8/h8-9,13H,1-7H2.
What are the key properties of 4,4-difluoro-3-(thian-3-yl)piperidine?
4,4-difluoro-3-(thian-3-yl)piperidine has a molecular weight of 221.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(thian-3-yl)piperidine is sourced from PubChem (CID 115032894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).