ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine

C15H26F3N — CID 145285449

IUPACethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine
SMILESC=C/C=C\C=C/C.CC.FC(F)(F)C1CCNCC1
InChIInChI=1S/C7H10.C6H10F3N.C2H6/c1-3-5-7-6-4-2;7-6(8,9)5-1-3-10-4-2-5;1-2/h3-7H,1H2,2H3;5,10H,1-4H2;1-2H3/b6-4-,7-5-;;
InChIKeyOKHIVBBHKKOABF-RVMHNBBFSA-N
MW277.37 g/mol
LogP4.88
Rot. Bonds2

About ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine

ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine (PubChem CID 145285449) has the molecular formula C15H26F3N and a molecular weight of 277.37 g/mol. Its IUPAC name is ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Nameethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine
PubChem CID145285449
Molecular FormulaC15H26F3N
Molecular Weight277.37 g/mol
Exact Mass277.20
IUPAC Nameethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine
SMILESC=C/C=C\C=C/C.CC.FC(F)(F)C1CCNCC1
InChIInChI=1S/C7H10.C6H10F3N.C2H6/c1-3-5-7-6-4-2;7-6(8,9)5-1-3-10-4-2-5;1-2/h3-7H,1H2,2H3;5,10H,1-4H2;1-2H3/b6-4-,7-5-;;
InChIKeyOKHIVBBHKKOABF-RVMHNBBFSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine?
The IUPAC name of ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine (CID 145285449) is ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine.
What is the SMILES notation for ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine?
The canonical SMILES for ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine is C=C/C=C\C=C/C.CC.FC(F)(F)C1CCNCC1.
What is the InChIKey of ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine?
The InChIKey is OKHIVBBHKKOABF-RVMHNBBFSA-N. The full InChI is InChI=1S/C7H10.C6H10F3N.C2H6/c1-3-5-7-6-4-2;7-6(8,9)5-1-3-10-4-2-5;1-2/h3-7H,1H2,2H3;5,10H,1-4H2;1-2H3/b6-4-,7-5-;;.
What are the key properties of ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine?
ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine has a molecular weight of 277.37 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine is sourced from PubChem (CID 145285449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).