3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde

C16H11F3O — CID 122476067

IUPAC3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11F3O/c17-16(18,19)15-6-2-4-13(10-15)8-7-12-3-1-5-14(9-12)11-20/h1-11H/b8-7+
InChIKeyLKQCLJLSCQDMHZ-BQYQJAHWSA-N
MW276.26 g/mol
LogP4.69
Rot. Bonds3

About 3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde

3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde (PubChem CID 122476067) has the molecular formula C16H11F3O and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
PubChem CID122476067
Molecular FormulaC16H11F3O
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11F3O/c17-16(18,19)15-6-2-4-13(10-15)8-7-12-3-1-5-14(9-12)11-20/h1-11H/b8-7+
InChIKeyLKQCLJLSCQDMHZ-BQYQJAHWSA-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

3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476262
3-(trifluoromethoxy)-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475563
6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde
CID 122476089
3-(1,1,2,2-tetrafluoroethyl)benzaldehyde
CID 84722173
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
CID 141309127
[4-formyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]phenyl] trifluoromethanesulfonate
CID 154068655
3-(trifluoromethyl)benzaldehyde;3-(trifluoromethyl)benzamide;chloride
CID 157401586
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The IUPAC name of 3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde (CID 122476067) is 3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde.
What is the SMILES notation for 3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The canonical SMILES for 3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde is O=Cc1cccc(/C=C/c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The InChIKey is LKQCLJLSCQDMHZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H11F3O/c17-16(18,19)15-6-2-4-13(10-15)8-7-12-3-1-5-14(9-12)11-20/h1-11H/b8-7+.
What are the key properties of 3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
3-[(E)-2-[3-(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 3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde is sourced from PubChem (CID 122476067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).