4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde

C16H11F3O — CID 53329765

IUPAC4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H11F3O/c17-16(18,19)15-9-7-13(8-10-15)2-1-12-3-5-14(11-20)6-4-12/h1-11H/b2-1+
InChIKeyDQWKITQWYCYZII-OWOJBTEDSA-N
MW276.26 g/mol
LogP4.69
Rot. Bonds3

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

4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde (PubChem CID 53329765) has the molecular formula C16H11F3O and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
PubChem CID53329765
Molecular FormulaC16H11F3O
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H11F3O/c17-16(18,19)15-9-7-13(8-10-15)2-1-12-3-5-14(11-20)6-4-12/h1-11H/b2-1+
InChIKeyDQWKITQWYCYZII-OWOJBTEDSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde
CID 129101740
5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475774
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde
CID 142575112
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
4-[amino(difluoro)methyl]benzaldehyde
CID 90101220
4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde
CID 139680214
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 11148298
4-(1,1-difluoroprop-2-enyl)benzaldehyde
CID 125492503

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The IUPAC name of 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde (CID 53329765) is 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The canonical SMILES for 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde is O=Cc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The InChIKey is DQWKITQWYCYZII-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H11F3O/c17-16(18,19)15-9-7-13(8-10-15)2-1-12-3-5-14(11-20)6-4-12/h1-11H/b2-1+.
What are the key properties of 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde has a molecular weight of 276.26 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde is sourced from PubChem (CID 53329765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).