2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine

C9H17F2NS — CID 176942873

IUPAC2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine
SMILESCSC1CC(C)CNC1C(C)(F)F
InChIInChI=1S/C9H17F2NS/c1-6-4-7(13-3)8(12-5-6)9(2,10)11/h6-8,12H,4-5H2,1-3H3
InChIKeyHITSGUOTIOPAIF-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.37
Rot. Bonds2

About 2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine

2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine (PubChem CID 176942873) has the molecular formula C9H17F2NS and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine
PubChem CID176942873
Molecular FormulaC9H17F2NS
Molecular Weight209.30 g/mol
Exact Mass209.10
IUPAC Name2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine
SMILESCSC1CC(C)CNC1C(C)(F)F
InChIInChI=1S/C9H17F2NS/c1-6-4-7(13-3)8(12-5-6)9(2,10)11/h6-8,12H,4-5H2,1-3H3
InChIKeyHITSGUOTIOPAIF-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
5-[2-(4-Fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
CID 140640625
3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
5-Methyl-2-(trifluoromethylsulfanyl)piperidine;propane
CID 176942168
Ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
CID 176942308
3-Fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane
CID 176943216
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-[3-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434425
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434513
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434641

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine?
The IUPAC name of 2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine (CID 176942873) is 2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine is CSC1CC(C)CNC1C(C)(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine?
The InChIKey is HITSGUOTIOPAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NS/c1-6-4-7(13-3)8(12-5-6)9(2,10)11/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine?
2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine has a molecular weight of 209.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-methyl-3-methylsulfanylpiperidine is sourced from PubChem (CID 176942873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).