1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine

C8H15F2NS — CID 155034445

IUPAC1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine
SMILESCCN1CCC(SC)CC1(F)F
InChIInChI=1S/C8H15F2NS/c1-3-11-5-4-7(12-2)6-8(11,9)10/h7H,3-6H2,1-2H3
InChIKeyOEADMFGMPQMZKC-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.43
Rot. Bonds2

About 1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine

1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine (PubChem CID 155034445) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine.

Molecular Properties

Compound Name1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine
PubChem CID155034445
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine
SMILESCCN1CCC(SC)CC1(F)F
InChIInChI=1S/C8H15F2NS/c1-3-11-5-4-7(12-2)6-8(11,9)10/h7H,3-6H2,1-2H3
InChIKeyOEADMFGMPQMZKC-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(r,s)-1-Methyl-3-methylsulfanyl-piperidine
CID 15063099
(r,s)-3-Isopropylsulfanyl-1-methyl-piperidine
CID 15063103
N-(2-mercapto-3,3,3-trifluoropropyl)piperidine
CID 10242314
N-(2-thiocyanato-3,3,3-trifluoropropyl)piperidine
CID 14981380
3-Ethylsulfanyl-1-methylpiperidine
CID 15063101
1-Methyl-4-(methylthio)piperidin
CID 54107306
3-Methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 123784194
1-(4,4-Difluoropiperidin-1-yl)pentane-3-thiol
CID 123903986
4,4-Difluoro-1-(2-methylsulfanylethyl)piperidine
CID 133676991
4-Methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
3-Ethylsulfanyl-4,4-difluoro-1-methylpiperidine
CID 146631131
3-Ethylsulfanyl-4,4-difluoro-1-methanidylpiperidin-1-ium
CID 147896098

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine?
The IUPAC name of 1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine (CID 155034445) is 1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine.
What is the SMILES notation for 1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine?
The canonical SMILES for 1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine is CCN1CCC(SC)CC1(F)F.
What is the InChIKey of 1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine?
The InChIKey is OEADMFGMPQMZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-3-11-5-4-7(12-2)6-8(11,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine?
1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine has a molecular weight of 195.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-difluoro-4-methylsulfanylpiperidine is sourced from PubChem (CID 155034445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).