1-ethyl-3-fluoro-3-methylsulfanylpiperidine

C8H16FNS — CID 167009401

IUPAC1-ethyl-3-fluoro-3-methylsulfanylpiperidine
SMILESCCN1CCCC(F)(SC)C1
InChIInChI=1S/C8H16FNS/c1-3-10-6-4-5-8(9,7-10)11-2/h3-7H2,1-2H3
InChIKeyCBBWVNXQKXRYCF-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.13
Rot. Bonds2

About 1-ethyl-3-fluoro-3-methylsulfanylpiperidine

1-ethyl-3-fluoro-3-methylsulfanylpiperidine (PubChem CID 167009401) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-3-methylsulfanylpiperidine.

Molecular Properties

Compound Name1-ethyl-3-fluoro-3-methylsulfanylpiperidine
PubChem CID167009401
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name1-ethyl-3-fluoro-3-methylsulfanylpiperidine
SMILESCCN1CCCC(F)(SC)C1
InChIInChI=1S/C8H16FNS/c1-3-10-6-4-5-8(9,7-10)11-2/h3-7H2,1-2H3
InChIKeyCBBWVNXQKXRYCF-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-3-methylsulfanylpiperidine?
The IUPAC name of 1-ethyl-3-fluoro-3-methylsulfanylpiperidine (CID 167009401) is 1-ethyl-3-fluoro-3-methylsulfanylpiperidine.
What is the SMILES notation for 1-ethyl-3-fluoro-3-methylsulfanylpiperidine?
The canonical SMILES for 1-ethyl-3-fluoro-3-methylsulfanylpiperidine is CCN1CCCC(F)(SC)C1.
What is the InChIKey of 1-ethyl-3-fluoro-3-methylsulfanylpiperidine?
The InChIKey is CBBWVNXQKXRYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-3-10-6-4-5-8(9,7-10)11-2/h3-7H2,1-2H3.
What are the key properties of 1-ethyl-3-fluoro-3-methylsulfanylpiperidine?
1-ethyl-3-fluoro-3-methylsulfanylpiperidine has a molecular weight of 177.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-3-methylsulfanylpiperidine is sourced from PubChem (CID 167009401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).