2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene

C15H16F2 — CID 143767770

IUPAC2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene
SMILESC=C/C=C\C=C(/CCC)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2/c1-3-5-6-8-12(7-4-2)14-10-9-13(16)11-15(14)17/h3,5-6,8-11H,1,4,7H2,2H3/b6-5-,12-8+
InChIKeyCENCKMFYKOPUPB-ZBKAMDABSA-N
MW234.29 g/mol
LogP4.89
Rot. Bonds5

About 2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene

2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene (PubChem CID 143767770) has the molecular formula C15H16F2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene
PubChem CID143767770
Molecular FormulaC15H16F2
Molecular Weight234.29 g/mol
Exact Mass234.12
IUPAC Name2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene
SMILESC=C/C=C\C=C(/CCC)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2/c1-3-5-6-8-12(7-4-2)14-10-9-13(16)11-15(14)17/h3,5-6,8-11H,1,4,7H2,2H3/b6-5-,12-8+
InChIKeyCENCKMFYKOPUPB-ZBKAMDABSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-but-1-en-2-yl-2,4-difluorobenzene
CID 57095622
(2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine
CID 59027692
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
(E)-3-(2-fluoro-4-methylphenyl)hex-2-enoic acid
CID 83957347
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
2-amino-1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 116590314
3-(2,4-difluorophenyl)but-3-en-2-ol
CID 23289047
N-[(1Z,3E)-4-[4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methyl-3-pyridinyl]hepta-1,3-dienyl]methanimine
CID 170175784
1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
CID 178070842
ethyl 2-(2,4-difluorophenyl)-2-oxoacetate
CID 24722254
1-methyl-4-[(3E,5Z)-octa-3,5,7-trien-3-yl]benzene
CID 144661005
ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate
CID 72579109

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene?
The IUPAC name of 2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene (CID 143767770) is 2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene?
The canonical SMILES for 2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene is C=C/C=C\C=C(/CCC)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene?
The InChIKey is CENCKMFYKOPUPB-ZBKAMDABSA-N. The full InChI is InChI=1S/C15H16F2/c1-3-5-6-8-12(7-4-2)14-10-9-13(16)11-15(14)17/h3,5-6,8-11H,1,4,7H2,2H3/b6-5-,12-8+.
What are the key properties of 2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene?
2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene has a molecular weight of 234.29 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene is sourced from PubChem (CID 143767770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).