5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene

C15H9F5 — CID 139790731

IUPAC5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene
SMILESCc1ccc(/C(F)=C(\F)c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C15H9F5/c1-8-2-4-9(5-3-8)13(18)14(19)10-6-11(16)15(20)12(17)7-10/h2-7H,1H3/b14-13+
InChIKeyUIDPLJVJCYUHBO-BUHFOSPRSA-N
MW284.23 g/mol
LogP5.18
Rot. Bonds2

About 5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene

5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene (PubChem CID 139790731) has the molecular formula C15H9F5 and a molecular weight of 284.23 g/mol. Its IUPAC name is 5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene
PubChem CID139790731
Molecular FormulaC15H9F5
Molecular Weight284.23 g/mol
Exact Mass284.06
IUPAC Name5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene
SMILESCc1ccc(/C(F)=C(\F)c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C15H9F5/c1-8-2-4-9(5-3-8)13(18)14(19)10-6-11(16)15(20)12(17)7-10/h2-7H,1H3/b14-13+
InChIKeyUIDPLJVJCYUHBO-BUHFOSPRSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.23
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2-difluorobenzene
CID 139790652
5-[(E)-1,2-difluoro-2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethenyl]-1,2,3-trifluorobenzene
CID 134445114
5-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-1,2,3-trifluorobenzene
CID 123905561
5-[4-[1,2-difluoro-2-[4-(4-propylphenyl)phenyl]ethenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 123579060
3-(4-methylphenyl)-1-(3,4,5-trifluorophenyl)propan-1-one
CID 24725759
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene
CID 139790681
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene
CID 139790656
5-[1,2-difluoro-2-[2-fluoro-4-(4-propylphenyl)phenyl]ethenyl]-1,2,3-trifluorobenzene
CID 123280656
4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene
CID 139790694
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene
CID 139748692

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene (CID 139790731) is 5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene is Cc1ccc(/C(F)=C(\F)c2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of 5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene?
The InChIKey is UIDPLJVJCYUHBO-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H9F5/c1-8-2-4-9(5-3-8)13(18)14(19)10-6-11(16)15(20)12(17)7-10/h2-7H,1H3/b14-13+.
What are the key properties of 5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene?
5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene has a molecular weight of 284.23 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-1,2,3-trifluorobenzene is sourced from PubChem (CID 139790731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).