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

C22H32F3N — CID 178040120

IUPAC(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)C(/C=C1/CCCCN1C)=C(C)CC
InChIInChI=1S/C22H32F3N/c1-6-11-18(15-19(12-7-2)22(23,24)25)21(17(4)8-3)16-20-13-9-10-14-26(20)5/h6,11-12,15-16H,7-10,13-14H2,1-5H3/b11-6-,18-15+,19-12-,20-16-,21-17?
InChIKeyQTNMYDVPRGUXLP-ZOLDQYFMSA-N
MW367.50 g/mol
LogP7.11
Rot. Bonds6

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

(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine (PubChem CID 178040120) has the molecular formula C22H32F3N and a molecular weight of 367.50 g/mol. Its IUPAC name is (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine.

Molecular Properties

Compound Name(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine
PubChem CID178040120
Molecular FormulaC22H32F3N
Molecular Weight367.50 g/mol
Exact Mass367.25
IUPAC Name(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)C(/C=C1/CCCCN1C)=C(C)CC
InChIInChI=1S/C22H32F3N/c1-6-11-18(15-19(12-7-2)22(23,24)25)21(17(4)8-3)16-20-13-9-10-14-26(20)5/h6,11-12,15-16H,7-10,13-14H2,1-5H3/b11-6-,18-15+,19-12-,20-16-,21-17?
InChIKeyQTNMYDVPRGUXLP-ZOLDQYFMSA-N
XLogP7.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 57.11
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 (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine?
The IUPAC name of (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine (CID 178040120) is (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine.
What is the SMILES notation for (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine?
The canonical SMILES for (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine is C/C=C\C(=C/C(=C/CC)C(F)(F)F)C(/C=C1/CCCCN1C)=C(C)CC.
What is the InChIKey of (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine?
The InChIKey is QTNMYDVPRGUXLP-ZOLDQYFMSA-N. The full InChI is InChI=1S/C22H32F3N/c1-6-11-18(15-19(12-7-2)22(23,24)25)21(17(4)8-3)16-20-13-9-10-14-26(20)5/h6,11-12,15-16H,7-10,13-14H2,1-5H3/b11-6-,18-15+,19-12-,20-16-,21-17?.
What are the key properties of (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine?
(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine has a molecular weight of 367.50 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine is sourced from PubChem (CID 178040120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).