[(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene

C18H16F2 — CID 122230138

IUPAC[(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene
SMILESFC(F)(/C=C/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H16F2/c19-18(20,15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-14H,15H2/b11-7+,14-8+
InChIKeySKJJOGPRIJWBEU-HPIZBCMHSA-N
MW270.32 g/mol
LogP5.13
Rot. Bonds5

About [(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene

[(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene (PubChem CID 122230138) has the molecular formula C18H16F2 and a molecular weight of 270.32 g/mol. Its IUPAC name is [(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene
PubChem CID122230138
Molecular FormulaC18H16F2
Molecular Weight270.32 g/mol
Exact Mass270.12
IUPAC Name[(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene
SMILESFC(F)(/C=C/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H16F2/c19-18(20,15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-14H,15H2/b11-7+,14-8+
InChIKeySKJJOGPRIJWBEU-HPIZBCMHSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.32
LogP ≤ 55.13
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

4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene
CID 122231581
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
(4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine
CID 10608725
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
[(1Z,3E)-4-phenylbuta-1,3-dienyl] trifluoromethanesulfonate
CID 125475043
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
3-amino-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]decanenitrile
CID 101182016
(2E,4E)-N,N-dibenzyl-5-phenylpenta-2,4-dien-1-amine
CID 10783298
(2-fluoro-2-methylpropyl)benzene
CID 14343442
ethane;2,2,2-trifluoroethylbenzene
CID 142152613

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene?
The IUPAC name of [(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene (CID 122230138) is [(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene is FC(F)(/C=C/C=C/c1ccccc1)Cc1ccccc1.
What is the InChIKey of [(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene?
The InChIKey is SKJJOGPRIJWBEU-HPIZBCMHSA-N. The full InChI is InChI=1S/C18H16F2/c19-18(20,15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-14H,15H2/b11-7+,14-8+.
What are the key properties of [(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene?
[(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene has a molecular weight of 270.32 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-5,5-difluoro-6-phenylhexa-1,3-dienyl]benzene is sourced from PubChem (CID 122230138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).