1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene

C16H10F6 — CID 11758889

IUPAC1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESFC(F)(F)c1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H10F6/c17-15(18,19)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(20,21)22/h1-10H/b2-1+
InChIKeyAKPPHKDAEYUZPI-OWOJBTEDSA-N
MW316.24 g/mol
LogP5.89
Rot. Bonds2

About 1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene

1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene (PubChem CID 11758889) has the molecular formula C16H10F6 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
PubChem CID11758889
Molecular FormulaC16H10F6
Molecular Weight316.24 g/mol
Exact Mass316.07
IUPAC Name1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESFC(F)(F)c1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H10F6/c17-15(18,19)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(20,21)22/h1-10H/b2-1+
InChIKeyAKPPHKDAEYUZPI-OWOJBTEDSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.24
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 11148298
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine
CID 89087487
5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475774
triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
CID 12996059
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde
CID 142575112
1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 59729397
1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
CID 145089374

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The IUPAC name of 1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene (CID 11758889) is 1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene is FC(F)(F)c1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The InChIKey is AKPPHKDAEYUZPI-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H10F6/c17-15(18,19)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(20,21)22/h1-10H/b2-1+.
What are the key properties of 1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene has a molecular weight of 316.24 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 11758889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).