3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde

C16H10F4O — CID 122476262

IUPAC3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
SMILESO=Cc1cc(F)cc(/C=C/c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H10F4O/c17-15-8-12(6-13(9-15)10-21)5-4-11-2-1-3-14(7-11)16(18,19)20/h1-10H/b5-4+
InChIKeyWWWGTKGWNSIKHR-SNAWJCMRSA-N
MW294.25 g/mol
LogP4.83
Rot. Bonds3

About 3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde

3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde (PubChem CID 122476262) has the molecular formula C16H10F4O and a molecular weight of 294.25 g/mol. Its IUPAC name is 3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
PubChem CID122476262
Molecular FormulaC16H10F4O
Molecular Weight294.25 g/mol
Exact Mass294.07
IUPAC Name3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
SMILESO=Cc1cc(F)cc(/C=C/c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H10F4O/c17-15-8-12(6-13(9-15)10-21)5-4-11-2-1-3-14(7-11)16(18,19)20/h1-10H/b5-4+
InChIKeyWWWGTKGWNSIKHR-SNAWJCMRSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.83
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-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
3-(trifluoromethoxy)-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475563
1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
CID 175767255
6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde
CID 122476089
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
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene
CID 173033091
3-(1,1,2,2-tetrafluoroethyl)benzaldehyde
CID 84722173
(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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The IUPAC name of 3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde (CID 122476262) is 3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde.
What is the SMILES notation for 3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The canonical SMILES for 3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde is O=Cc1cc(F)cc(/C=C/c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The InChIKey is WWWGTKGWNSIKHR-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H10F4O/c17-15-8-12(6-13(9-15)10-21)5-4-11-2-1-3-14(7-11)16(18,19)20/h1-10H/b5-4+.
What are the key properties of 3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde has a molecular weight of 294.25 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde is sourced from PubChem (CID 122476262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).