2-cycloheptyl-6-(trifluoromethyl)piperidine

C13H22F3N — CID 106781025

IUPAC2-cycloheptyl-6-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCC(C2CCCCCC2)N1
InChIInChI=1S/C13H22F3N/c14-13(15,16)12-9-5-8-11(17-12)10-6-3-1-2-4-7-10/h10-12,17H,1-9H2
InChIKeyVFNNRAQQOZMMTI-UHFFFAOYSA-N
MW249.32 g/mol
LogP4.03
Rot. Bonds1

About 2-cycloheptyl-6-(trifluoromethyl)piperidine

2-cycloheptyl-6-(trifluoromethyl)piperidine (PubChem CID 106781025) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-cycloheptyl-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-cycloheptyl-6-(trifluoromethyl)piperidine
PubChem CID106781025
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name2-cycloheptyl-6-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCC(C2CCCCCC2)N1
InChIInChI=1S/C13H22F3N/c14-13(15,16)12-9-5-8-11(17-12)10-6-3-1-2-4-7-10/h10-12,17H,1-9H2
InChIKeyVFNNRAQQOZMMTI-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-6-(trifluoromethyl)piperidine?
The IUPAC name of 2-cycloheptyl-6-(trifluoromethyl)piperidine (CID 106781025) is 2-cycloheptyl-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-cycloheptyl-6-(trifluoromethyl)piperidine?
The canonical SMILES for 2-cycloheptyl-6-(trifluoromethyl)piperidine is FC(F)(F)C1CCCC(C2CCCCCC2)N1.
What is the InChIKey of 2-cycloheptyl-6-(trifluoromethyl)piperidine?
The InChIKey is VFNNRAQQOZMMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c14-13(15,16)12-9-5-8-11(17-12)10-6-3-1-2-4-7-10/h10-12,17H,1-9H2.
What are the key properties of 2-cycloheptyl-6-(trifluoromethyl)piperidine?
2-cycloheptyl-6-(trifluoromethyl)piperidine has a molecular weight of 249.32 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 106781025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).