[(3E)-6,6-difluorohexa-3,5-dienyl]benzene

C12H12F2 — CID 14665877

IUPAC[(3E)-6,6-difluorohexa-3,5-dienyl]benzene
SMILESFC(F)=C/C=C/CCc1ccccc1
InChIInChI=1S/C12H12F2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8,10H,5,9H2/b6-2+
InChIKeyUWGLCRRVKYKVBK-QHHAFSJGSA-N
MW194.22 g/mol
LogP3.96
Rot. Bonds4

About [(3E)-6,6-difluorohexa-3,5-dienyl]benzene

[(3E)-6,6-difluorohexa-3,5-dienyl]benzene (PubChem CID 14665877) has the molecular formula C12H12F2 and a molecular weight of 194.22 g/mol. Its IUPAC name is [(3E)-6,6-difluorohexa-3,5-dienyl]benzene.

Molecular Properties

Compound Name[(3E)-6,6-difluorohexa-3,5-dienyl]benzene
PubChem CID14665877
Molecular FormulaC12H12F2
Molecular Weight194.22 g/mol
Exact Mass194.09
IUPAC Name[(3E)-6,6-difluorohexa-3,5-dienyl]benzene
SMILESFC(F)=C/C=C/CCc1ccccc1
InChIInChI=1S/C12H12F2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8,10H,5,9H2/b6-2+
InChIKeyUWGLCRRVKYKVBK-QHHAFSJGSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 53.96
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

7-phenylhepta-2,4-dien-1-ol
CID 123622539
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
hepta-3,5-dienylbenzene
CID 54230830
pent-3-enylbenzene
CID 519421
5,5-difluoropent-4-enylbenzene
CID 15268524
(4-bromo-4-fluorobut-3-enyl)benzene
CID 71421113
(2E,4E)-2-ethoxycarbonyl-7-phenylhepta-2,4-dienoic acid
CID 88730717
[(E)-5-chloropent-3-enyl]benzene
CID 101263863
potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide
CID 23677745
but-3-enylbenzene;silver
CID 174999453
[(E)-5-cyclohexylidenepent-3-enyl]benzene
CID 101127606
2-methyl-6-phenylhex-3-en-2-ol
CID 73102528

Frequently Asked Questions

What is the IUPAC name of [(3E)-6,6-difluorohexa-3,5-dienyl]benzene?
The IUPAC name of [(3E)-6,6-difluorohexa-3,5-dienyl]benzene (CID 14665877) is [(3E)-6,6-difluorohexa-3,5-dienyl]benzene.
What is the SMILES notation for [(3E)-6,6-difluorohexa-3,5-dienyl]benzene?
The canonical SMILES for [(3E)-6,6-difluorohexa-3,5-dienyl]benzene is FC(F)=C/C=C/CCc1ccccc1.
What is the InChIKey of [(3E)-6,6-difluorohexa-3,5-dienyl]benzene?
The InChIKey is UWGLCRRVKYKVBK-QHHAFSJGSA-N. The full InChI is InChI=1S/C12H12F2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8,10H,5,9H2/b6-2+.
What are the key properties of [(3E)-6,6-difluorohexa-3,5-dienyl]benzene?
[(3E)-6,6-difluorohexa-3,5-dienyl]benzene has a molecular weight of 194.22 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-6,6-difluorohexa-3,5-dienyl]benzene is sourced from PubChem (CID 14665877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).