3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde

C23H15F5O — CID 155265248

IUPAC3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde
SMILESCc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1cccc(F)c1F
InChIInChI=1S/C23H15F5O/c1-14-16(4-2-5-18(14)19-6-3-7-21(24)22(19)25)9-10-17-12-15(13-29)8-11-20(17)23(26,27)28/h2-13H,1H3/b10-9+
InChIKeyKVPBFJFWJUXKDK-MDZDMXLPSA-N
MW402.36 g/mol
LogP6.94
Rot. Bonds4

About 3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde

3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde (PubChem CID 155265248) has the molecular formula C23H15F5O and a molecular weight of 402.36 g/mol. Its IUPAC name is 3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde
PubChem CID155265248
Molecular FormulaC23H15F5O
Molecular Weight402.36 g/mol
Exact Mass402.10
IUPAC Name3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde
SMILESCc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1cccc(F)c1F
InChIInChI=1S/C23H15F5O/c1-14-16(4-2-5-18(14)19-6-3-7-21(24)22(19)25)9-10-17-12-15(13-29)8-11-20(17)23(26,27)28/h2-13H,1H3/b10-9+
InChIKeyKVPBFJFWJUXKDK-MDZDMXLPSA-N
XLogP6.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.36
LogP ≤ 56.94
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'}

Analyze 3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde (CID 155265248) is 3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde is Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1cccc(F)c1F.
What is the InChIKey of 3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde?
The InChIKey is KVPBFJFWJUXKDK-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H15F5O/c1-14-16(4-2-5-18(14)19-6-3-7-21(24)22(19)25)9-10-17-12-15(13-29)8-11-20(17)23(26,27)28/h2-13H,1H3/b10-9+.
What are the key properties of 3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde?
3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde has a molecular weight of 402.36 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 155265248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).