2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene

C14H9F3 — CID 134154807

IUPAC2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene
SMILESFc1cccc(/C=C/c2ccc(F)cc2F)c1
InChIInChI=1S/C14H9F3/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)9-14(11)17/h1-9H/b5-4+
InChIKeySTQUKHIPECVOTP-SNAWJCMRSA-N
MW234.22 g/mol
LogP4.27
Rot. Bonds2

About 2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene

2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene (PubChem CID 134154807) has the molecular formula C14H9F3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene
PubChem CID134154807
Molecular FormulaC14H9F3
Molecular Weight234.22 g/mol
Exact Mass234.07
IUPAC Name2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene
SMILESFc1cccc(/C=C/c2ccc(F)cc2F)c1
InChIInChI=1S/C14H9F3/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)9-14(11)17/h1-9H/b5-4+
InChIKeySTQUKHIPECVOTP-SNAWJCMRSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 54.27
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 2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
The IUPAC name of 2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene (CID 134154807) is 2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene is Fc1cccc(/C=C/c2ccc(F)cc2F)c1.
What is the InChIKey of 2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
The InChIKey is STQUKHIPECVOTP-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H9F3/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)9-14(11)17/h1-9H/b5-4+.
What are the key properties of 2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene?
2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene has a molecular weight of 234.22 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]benzene is sourced from PubChem (CID 134154807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).