4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine

C13H16F3N — CID 142862526

IUPAC4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine
SMILESFC(F)(F)C1=CC=CCC=C1C1CCNCC1
InChIInChI=1S/C13H16F3N/c14-13(15,16)12-5-3-1-2-4-11(12)10-6-8-17-9-7-10/h1,3-5,10,17H,2,6-9H2
InChIKeyIRPAXUCSWBRSOJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.36
Rot. Bonds1

About 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine

4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine (PubChem CID 142862526) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine.

Molecular Properties

Compound Name4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine
PubChem CID142862526
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine
SMILESFC(F)(F)C1=CC=CCC=C1C1CCNCC1
InChIInChI=1S/C13H16F3N/c14-13(15,16)12-5-3-1-2-4-11(12)10-6-8-17-9-7-10/h1,3-5,10,17H,2,6-9H2
InChIKeyIRPAXUCSWBRSOJ-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine?
The IUPAC name of 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine (CID 142862526) is 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine.
What is the SMILES notation for 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine?
The canonical SMILES for 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine is FC(F)(F)C1=CC=CCC=C1C1CCNCC1.
What is the InChIKey of 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine?
The InChIKey is IRPAXUCSWBRSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-13(15,16)12-5-3-1-2-4-11(12)10-6-8-17-9-7-10/h1,3-5,10,17H,2,6-9H2.
What are the key properties of 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine?
4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine has a molecular weight of 243.27 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidine is sourced from PubChem (CID 142862526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).