(2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine

C18H25F4N — CID 178040133

IUPAC(2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine
SMILESC/C=C(F)\C(=C/C(=C/CC)C(F)(F)F)C/C=C1/CCCCN1C
InChIInChI=1S/C18H25F4N/c1-4-8-15(18(20,21)22)13-14(17(19)5-2)10-11-16-9-6-7-12-23(16)3/h5,8,11,13H,4,6-7,9-10,12H2,1-3H3/b14-13-,15-8-,16-11-,17-5+
InChIKeyNZHSWYGSPPYZJM-SHXZNTLYSA-N
MW331.40 g/mol
LogP6.07
Rot. Bonds5

About (2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine

(2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine (PubChem CID 178040133) has the molecular formula C18H25F4N and a molecular weight of 331.40 g/mol. Its IUPAC name is (2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine.

Molecular Properties

Compound Name(2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine
PubChem CID178040133
Molecular FormulaC18H25F4N
Molecular Weight331.40 g/mol
Exact Mass331.19
IUPAC Name(2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine
SMILESC/C=C(F)\C(=C/C(=C/CC)C(F)(F)F)C/C=C1/CCCCN1C
InChIInChI=1S/C18H25F4N/c1-4-8-15(18(20,21)22)13-14(17(19)5-2)10-11-16-9-6-7-12-23(16)3/h5,8,11,13H,4,6-7,9-10,12H2,1-3H3/b14-13-,15-8-,16-11-,17-5+
InChIKeyNZHSWYGSPPYZJM-SHXZNTLYSA-N
XLogP6.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.40
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine
CID 67020339
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
1-[1-(6-Fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
CID 142581038
1-[(1E,3E)-4-piperidin-1-yl-1-[(E)-4,4,4-trifluorobut-2-enyl]-3-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-1,3-dienyl]piperidine
CID 143980345
ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144539787
1-[(3E,5Z)-7-fluoro-5,6-dimethylocta-3,5,7-trien-3-yl]piperidine
CID 144983831
1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 146247180
1-[2-fluoro-4-methyl-7-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-N,N-dimethylpiperidin-4-amine
CID 146247321
1-[2-fluoro-4-methyl-6-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]-N,N-dimethylpiperidin-4-amine
CID 146247331
1-[(1Z,3E,5Z)-1-fluoro-5-methyl-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 146247332

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine?
The IUPAC name of (2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine (CID 178040133) is (2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine.
What is the SMILES notation for (2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine?
The canonical SMILES for (2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine is C/C=C(F)\C(=C/C(=C/CC)C(F)(F)F)C/C=C1/CCCCN1C.
What is the InChIKey of (2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine?
The InChIKey is NZHSWYGSPPYZJM-SHXZNTLYSA-N. The full InChI is InChI=1S/C18H25F4N/c1-4-8-15(18(20,21)22)13-14(17(19)5-2)10-11-16-9-6-7-12-23(16)3/h5,8,11,13H,4,6-7,9-10,12H2,1-3H3/b14-13-,15-8-,16-11-,17-5+.
What are the key properties of (2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine?
(2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine has a molecular weight of 331.40 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3Z,5Z)-3-[(E)-1-fluoroprop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine is sourced from PubChem (CID 178040133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).