1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene

C19H20F2 — CID 19798855

IUPAC1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
SMILESF/C=C/CCCCCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20F2/c20-15-5-3-1-2-4-6-16-7-9-17(10-8-16)18-11-13-19(21)14-12-18/h5,7-15H,1-4,6H2/b15-5+
InChIKeyJDJAMGVIWMBFER-PJQLUOCWSA-N
MW286.37 g/mol
LogP6.08
Rot. Bonds7

About 1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene

1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene (PubChem CID 19798855) has the molecular formula C19H20F2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
PubChem CID19798855
Molecular FormulaC19H20F2
Molecular Weight286.37 g/mol
Exact Mass286.15
IUPAC Name1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
SMILESF/C=C/CCCCCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20F2/c20-15-5-3-1-2-4-6-16-7-9-17(10-8-16)18-11-13-19(21)14-12-18/h5,7-15H,1-4,6H2/b15-5+
InChIKeyJDJAMGVIWMBFER-PJQLUOCWSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene (CID 19798855) is 1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene is F/C=C/CCCCCc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene?
The InChIKey is JDJAMGVIWMBFER-PJQLUOCWSA-N. The full InChI is InChI=1S/C19H20F2/c20-15-5-3-1-2-4-6-16-7-9-17(10-8-16)18-11-13-19(21)14-12-18/h5,7-15H,1-4,6H2/b15-5+.
What are the key properties of 1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene?
1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene has a molecular weight of 286.37 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene is sourced from PubChem (CID 19798855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).