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

C17H10F6O — CID 122475774

IUPAC5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)ccc1/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F6O/c18-16(19,20)14-6-2-11(3-7-14)1-4-12-5-8-15(17(21,22)23)9-13(12)10-24/h1-10H/b4-1+
InChIKeyZRTUTTLJNZJZDV-DAFODLJHSA-N
MW344.25 g/mol
LogP5.71
Rot. Bonds3

About 5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde

5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde (PubChem CID 122475774) has the molecular formula C17H10F6O and a molecular weight of 344.25 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
PubChem CID122475774
Molecular FormulaC17H10F6O
Molecular Weight344.25 g/mol
Exact Mass344.06
IUPAC Name5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)ccc1/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F6O/c18-16(19,20)14-6-2-11(3-7-14)1-4-12-5-8-15(17(21,22)23)9-13(12)10-24/h1-10H/b4-1+
InChIKeyZRTUTTLJNZJZDV-DAFODLJHSA-N
XLogP5.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.71
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

4-(trifluoromethyl)phthalaldehyde
CID 23496648
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
[2-formyl-4-(trifluoromethyl)phenyl]oxidanium
CID 147170716
2-iodo-5-(trifluoromethyl)benzaldehyde
CID 71650906
2-(3-sulfanylprop-1-enyl)-4-(trifluoromethyl)benzaldehyde
CID 169455997
2-hydroxy-3-methoxy-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 139552593
[2-formyl-4-(trifluoromethyl)phenyl]boronic acid
CID 53216333
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentene-1-carbaldehyde
CID 142575112
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene
CID 171364975

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The IUPAC name of 5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde (CID 122475774) is 5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde.
What is the SMILES notation for 5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The canonical SMILES for 5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde is O=Cc1cc(C(F)(F)F)ccc1/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
The InChIKey is ZRTUTTLJNZJZDV-DAFODLJHSA-N. The full InChI is InChI=1S/C17H10F6O/c18-16(19,20)14-6-2-11(3-7-14)1-4-12-5-8-15(17(21,22)23)9-13(12)10-24/h1-10H/b4-1+.
What are the key properties of 5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde?
5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde has a molecular weight of 344.25 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde is sourced from PubChem (CID 122475774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).