[(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene

C15H13F5O — CID 10756876

IUPAC[(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene
SMILESCCOC(=C=C/C=C/c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H13F5O/c1-2-21-13(14(16,17)15(18,19)20)11-7-6-10-12-8-4-3-5-9-12/h3-10H,2H2,1H3/b10-6+
InChIKeyONFLUGSZBGDPJL-UXBLZVDNSA-N
MW304.26 g/mol
LogP4.97
Rot. Bonds5

About [(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene

[(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene (PubChem CID 10756876) has the molecular formula C15H13F5O and a molecular weight of 304.26 g/mol. Its IUPAC name is [(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene.

Molecular Properties

Compound Name[(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene
PubChem CID10756876
Molecular FormulaC15H13F5O
Molecular Weight304.26 g/mol
Exact Mass304.09
IUPAC Name[(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene
SMILESCCOC(=C=C/C=C/c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H13F5O/c1-2-21-13(14(16,17)15(18,19)20)11-7-6-10-12-8-4-3-5-9-12/h3-10H,2H2,1H3/b10-6+
InChIKeyONFLUGSZBGDPJL-UXBLZVDNSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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[1,2-Difluoro-2-(heptafluoropropoxy)ethenyl]benzene
CID 71414201
[(1Z)-4,4,5,5,6,6,7,7,7-Nonafluorohept-1-EN-1-YL]benzene
CID 92012324
(4,4,5,5,6,6,7,7,7-Nonafluorohept-1-en-1-yl)benzene
CID 53721802
[(E)-2-Methoxyethenyl]benzene
CID 107588
(E)-beta-Methoxy-alpha-methylstyrene
CID 3034642
ethyl (E)-2,2-difluoro-4-phenylbut-3-enoate
CID 10727923
1-Methoxy-2-[4-(trifluoromethyl)phenyl]ethene
CID 21459450
1,1,2,2-Tetrafluoro-1-phenylpropane
CID 23233426
(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445

Frequently Asked Questions

What is the IUPAC name of [(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene?
The IUPAC name of [(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene (CID 10756876) is [(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene.
What is the SMILES notation for [(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene?
The canonical SMILES for [(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene is CCOC(=C=C/C=C/c1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of [(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene?
The InChIKey is ONFLUGSZBGDPJL-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H13F5O/c1-2-21-13(14(16,17)15(18,19)20)11-7-6-10-12-8-4-3-5-9-12/h3-10H,2H2,1H3/b10-6+.
What are the key properties of [(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene?
[(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene has a molecular weight of 304.26 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-5-ethoxy-6,6,7,7,7-pentafluorohepta-1,3,4-trienyl]benzene is sourced from PubChem (CID 10756876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).