1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene

C14H10F2 — CID 11746024

IUPAC1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene
SMILESFc1cccc(/C=C/c2cccc(F)c2)c1
InChIInChI=1S/C14H10F2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-10H/b8-7+
InChIKeyRLPVRGKEDHEXPC-BQYQJAHWSA-N
MW216.23 g/mol
LogP4.14
Rot. Bonds2

About 1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene

1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene (PubChem CID 11746024) has the molecular formula C14H10F2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene
PubChem CID11746024
Molecular FormulaC14H10F2
Molecular Weight216.23 g/mol
Exact Mass216.08
IUPAC Name1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene
SMILESFc1cccc(/C=C/c2cccc(F)c2)c1
InChIInChI=1S/C14H10F2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-10H/b8-7+
InChIKeyRLPVRGKEDHEXPC-BQYQJAHWSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
The IUPAC name of 1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene (CID 11746024) is 1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene.
What is the SMILES notation for 1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
The canonical SMILES for 1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene is Fc1cccc(/C=C/c2cccc(F)c2)c1.
What is the InChIKey of 1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
The InChIKey is RLPVRGKEDHEXPC-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H10F2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-10H/b8-7+.
What are the key properties of 1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene has a molecular weight of 216.23 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]benzene is sourced from PubChem (CID 11746024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).