1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene

C17H11F5 — CID 138963154

IUPAC1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene
SMILESFc1c(F)c(F)c(C/C=C/C=C/c2ccccc2)c(F)c1F
InChIInChI=1S/C17H11F5/c18-13-12(14(19)16(21)17(22)15(13)20)10-6-2-5-9-11-7-3-1-4-8-11/h1-9H,10H2/b6-2+,9-5+
InChIKeyUMOYYTGRWZAELX-VDESZNBCSA-N
MW310.27 g/mol
LogP5.19
Rot. Bonds4

About 1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene

1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene (PubChem CID 138963154) has the molecular formula C17H11F5 and a molecular weight of 310.27 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene
PubChem CID138963154
Molecular FormulaC17H11F5
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene
SMILESFc1c(F)c(F)c(C/C=C/C=C/c2ccccc2)c(F)c1F
InChIInChI=1S/C17H11F5/c18-13-12(14(19)16(21)17(22)15(13)20)10-6-2-5-9-11-7-3-1-4-8-11/h1-9H,10H2/b6-2+,9-5+
InChIKeyUMOYYTGRWZAELX-VDESZNBCSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.27
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
1,11-diphenylundeca-1,3,8,10-tetraen-6-one
CID 76545225
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
(4E,6E)-7-phenylhepta-4,6-dien-1-ol
CID 134982496
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
2,2,5,5-tetramethyl-1-[(2E,4E)-5-phenylpenta-2,4-dienyl]-1,2,5-azadisilolidine
CID 10542351
(4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol
CID 102486729
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
octadeca-1,3-dienylbenzene
CID 54155436
(2E,4E)-N,N-dibenzyl-5-phenylpenta-2,4-dien-1-amine
CID 10783298

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene (CID 138963154) is 1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene is Fc1c(F)c(F)c(C/C=C/C=C/c2ccccc2)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene?
The InChIKey is UMOYYTGRWZAELX-VDESZNBCSA-N. The full InChI is InChI=1S/C17H11F5/c18-13-12(14(19)16(21)17(22)15(13)20)10-6-2-5-9-11-7-3-1-4-8-11/h1-9H,10H2/b6-2+,9-5+.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene?
1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene has a molecular weight of 310.27 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzene is sourced from PubChem (CID 138963154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).