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

C10H17F2NS — CID 115032895

IUPAC4,4-difluoro-3-(thian-4-yl)piperidine
SMILESFC1(F)CCNCC1C1CCSCC1
InChIInChI=1S/C10H17F2NS/c11-10(12)3-4-13-7-9(10)8-1-5-14-6-2-8/h8-9,13H,1-7H2
InChIKeyOZUAKSKLPYBHJE-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.37
Rot. Bonds1

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

4,4-difluoro-3-(thian-4-yl)piperidine (PubChem CID 115032895) has the molecular formula C10H17F2NS and a molecular weight of 221.32 g/mol. Its IUPAC name is 4,4-difluoro-3-(thian-4-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-(thian-4-yl)piperidine
PubChem CID115032895
Molecular FormulaC10H17F2NS
Molecular Weight221.32 g/mol
Exact Mass221.10
IUPAC Name4,4-difluoro-3-(thian-4-yl)piperidine
SMILESFC1(F)CCNCC1C1CCSCC1
InChIInChI=1S/C10H17F2NS/c11-10(12)3-4-13-7-9(10)8-1-5-14-6-2-8/h8-9,13H,1-7H2
InChIKeyOZUAKSKLPYBHJE-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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Related Compounds

1-Thia-4-azaspiro(5.5)undecane
CID 58300401
4-{[(2,2,2-Trifluoroethyl)sulfanyl]methyl}piperidine hydrochloride
CID 66802878
4-(2,2,2-Trifluoroethylsulfanylmethyl)piperidine
CID 66802879
5-[2-(4-Fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
CID 140640625
N-[3-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434425
N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434513
N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434641
N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 55129689
N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 55129690
N-[3-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 62871811
4-(Difluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306123
4-(Fluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306178

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(thian-4-yl)piperidine?
The IUPAC name of 4,4-difluoro-3-(thian-4-yl)piperidine (CID 115032895) is 4,4-difluoro-3-(thian-4-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-3-(thian-4-yl)piperidine?
The canonical SMILES for 4,4-difluoro-3-(thian-4-yl)piperidine is FC1(F)CCNCC1C1CCSCC1.
What is the InChIKey of 4,4-difluoro-3-(thian-4-yl)piperidine?
The InChIKey is OZUAKSKLPYBHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NS/c11-10(12)3-4-13-7-9(10)8-1-5-14-6-2-8/h8-9,13H,1-7H2.
What are the key properties of 4,4-difluoro-3-(thian-4-yl)piperidine?
4,4-difluoro-3-(thian-4-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-4-yl)piperidine is sourced from PubChem (CID 115032895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).