4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine

C15H20F5N — CID 144955045

IUPAC4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine
SMILESC/C=C(C(=C(F)/C=C(\C)F)\C(F)(F)F)/C1CCN(C)CC1
InChIInChI=1S/C15H20F5N/c1-4-12(11-5-7-21(3)8-6-11)14(15(18,19)20)13(17)9-10(2)16/h4,9,11H,5-8H2,1-3H3/b10-9+,12-4-,14-13-
InChIKeyRXJIFIGEBBHRFT-LPOOCQTCSA-N
MW309.32 g/mol
LogP4.93
Rot. Bonds3

About 4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine

4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine (PubChem CID 144955045) has the molecular formula C15H20F5N and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine
PubChem CID144955045
Molecular FormulaC15H20F5N
Molecular Weight309.32 g/mol
Exact Mass309.15
IUPAC Name4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine
SMILESC/C=C(C(=C(F)/C=C(\C)F)\C(F)(F)F)/C1CCN(C)CC1
InChIInChI=1S/C15H20F5N/c1-4-12(11-5-7-21(3)8-6-11)14(15(18,19)20)13(17)9-10(2)16/h4,9,11H,5-8H2,1-3H3/b10-9+,12-4-,14-13-
InChIKeyRXJIFIGEBBHRFT-LPOOCQTCSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.93
H-Bond Donors ≤ 50
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 4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine?
The IUPAC name of 4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine (CID 144955045) is 4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine is C/C=C(C(=C(F)/C=C(\C)F)\C(F)(F)F)/C1CCN(C)CC1.
What is the InChIKey of 4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine?
The InChIKey is RXJIFIGEBBHRFT-LPOOCQTCSA-N. The full InChI is InChI=1S/C15H20F5N/c1-4-12(11-5-7-21(3)8-6-11)14(15(18,19)20)13(17)9-10(2)16/h4,9,11H,5-8H2,1-3H3/b10-9+,12-4-,14-13-.
What are the key properties of 4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine?
4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine has a molecular weight of 309.32 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4Z,6E)-5,7-difluoro-4-(trifluoromethyl)octa-2,4,6-trien-3-yl]-1-methylpiperidine is sourced from PubChem (CID 144955045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).