(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene

C19H22F6 — CID 135298694

IUPAC(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene
SMILESC/C=C\C=C(/C=C\C)C(C(/C=C\C)=C/C=C\C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H22F6/c1-5-9-13-15(11-7-3)17(18(20,21)22,19(23,24)25)16(12-8-4)14-10-6-2/h5-14H,1-4H3/b9-5-,10-6-,11-7-,12-8-,15-13+,16-14+
InChIKeyWSWPCRZTBMAAJC-VHVPOKRLSA-N
MW364.37 g/mol
LogP7.25
Rot. Bonds6

About (2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene

(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene (PubChem CID 135298694) has the molecular formula C19H22F6 and a molecular weight of 364.37 g/mol. Its IUPAC name is (2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene.

Molecular Properties

Compound Name(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene
PubChem CID135298694
Molecular FormulaC19H22F6
Molecular Weight364.37 g/mol
Exact Mass364.16
IUPAC Name(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene
SMILESC/C=C\C=C(/C=C\C)C(C(/C=C\C)=C/C=C\C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H22F6/c1-5-9-13-15(11-7-3)17(18(20,21)22,19(23,24)25)16(12-8-4)14-10-6-2/h5-14H,1-4H3/b9-5-,10-6-,11-7-,12-8-,15-13+,16-14+
InChIKeyWSWPCRZTBMAAJC-VHVPOKRLSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene with MolForge

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Related Compounds

ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
CID 145162819
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
ethane;(2Z,4E,7E)-5-ethenyl-7-[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)deca-2,4,7-triene
CID 143322922
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 126629591
(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 143161230
(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 173482598
(5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol
CID 134354782
(2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene
CID 129041542
ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol
CID 164918182
(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene
CID 167239057
(2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene
CID 163785608

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene?
The IUPAC name of (2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene (CID 135298694) is (2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene.
What is the SMILES notation for (2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene?
The canonical SMILES for (2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene is C/C=C\C=C(/C=C\C)C(C(/C=C\C)=C/C=C\C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene?
The InChIKey is WSWPCRZTBMAAJC-VHVPOKRLSA-N. The full InChI is InChI=1S/C19H22F6/c1-5-9-13-15(11-7-3)17(18(20,21)22,19(23,24)25)16(12-8-4)14-10-6-2/h5-14H,1-4H3/b9-5-,10-6-,11-7-,12-8-,15-13+,16-14+.
What are the key properties of (2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene?
(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene has a molecular weight of 364.37 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene is sourced from PubChem (CID 135298694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).