2-(trifluoromethyl)piperidine-1-carboxylate

C7H9F3NO2- — CID 154311331

IUPAC2-(trifluoromethyl)piperidine-1-carboxylate
SMILESO=C([O-])N1CCCCC1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-3-1-2-4-11(5)6(12)13/h5H,1-4H2,(H,12,13)/p-1
InChIKeyITAWGSKXGZSLES-UHFFFAOYSA-M
MW196.15 g/mol
LogP0.75
Rot. Bonds

About 2-(trifluoromethyl)piperidine-1-carboxylate

2-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 154311331) has the molecular formula C7H9F3NO2- and a molecular weight of 196.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID154311331
Molecular FormulaC7H9F3NO2-
Molecular Weight196.15 g/mol
Exact Mass196.06
IUPAC Name2-(trifluoromethyl)piperidine-1-carboxylate
SMILESO=C([O-])N1CCCCC1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-3-1-2-4-11(5)6(12)13/h5H,1-4H2,(H,12,13)/p-1
InChIKeyITAWGSKXGZSLES-UHFFFAOYSA-M
XLogP0.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of 2-(trifluoromethyl)piperidine-1-carboxylate (CID 154311331) is 2-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for 2-(trifluoromethyl)piperidine-1-carboxylate is O=C([O-])N1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is ITAWGSKXGZSLES-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5-3-1-2-4-11(5)6(12)13/h5H,1-4H2,(H,12,13)/p-1.
What are the key properties of 2-(trifluoromethyl)piperidine-1-carboxylate?
2-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 196.15 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 154311331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).