fluoro 4-methylsulfanylpiperidine-1-carboxylate

C7H12FNO2S — CID 174867067

IUPACfluoro 4-methylsulfanylpiperidine-1-carboxylate
SMILESCSC1CCN(C(=O)OF)CC1
InChIInChI=1S/C7H12FNO2S/c1-12-6-2-4-9(5-3-6)7(10)11-8/h6H,2-5H2,1H3
InChIKeyGPSITNGTLCDYBH-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.83
Rot. Bonds1

About fluoro 4-methylsulfanylpiperidine-1-carboxylate

fluoro 4-methylsulfanylpiperidine-1-carboxylate (PubChem CID 174867067) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is fluoro 4-methylsulfanylpiperidine-1-carboxylate.

Molecular Properties

Compound Namefluoro 4-methylsulfanylpiperidine-1-carboxylate
PubChem CID174867067
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC Namefluoro 4-methylsulfanylpiperidine-1-carboxylate
SMILESCSC1CCN(C(=O)OF)CC1
InChIInChI=1S/C7H12FNO2S/c1-12-6-2-4-9(5-3-6)7(10)11-8/h6H,2-5H2,1H3
InChIKeyGPSITNGTLCDYBH-UHFFFAOYSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 4-methylsulfanylpiperidine-1-carboxylate?
The IUPAC name of fluoro 4-methylsulfanylpiperidine-1-carboxylate (CID 174867067) is fluoro 4-methylsulfanylpiperidine-1-carboxylate.
What is the SMILES notation for fluoro 4-methylsulfanylpiperidine-1-carboxylate?
The canonical SMILES for fluoro 4-methylsulfanylpiperidine-1-carboxylate is CSC1CCN(C(=O)OF)CC1.
What is the InChIKey of fluoro 4-methylsulfanylpiperidine-1-carboxylate?
The InChIKey is GPSITNGTLCDYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2S/c1-12-6-2-4-9(5-3-6)7(10)11-8/h6H,2-5H2,1H3.
What are the key properties of fluoro 4-methylsulfanylpiperidine-1-carboxylate?
fluoro 4-methylsulfanylpiperidine-1-carboxylate has a molecular weight of 193.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-methylsulfanylpiperidine-1-carboxylate is sourced from PubChem (CID 174867067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).