4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde

C14H8F4O — CID 83810230

IUPAC4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C14H8F4O/c15-13-6-5-11(14(16,17)18)7-12(13)10-3-1-9(8-19)2-4-10/h1-8H
InChIKeyZTGOFUSMOFZJLP-UHFFFAOYSA-N
MW268.21 g/mol
LogP4.32
Rot. Bonds2

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

4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 83810230) has the molecular formula C14H8F4O and a molecular weight of 268.21 g/mol. Its IUPAC name is 4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID83810230
Molecular FormulaC14H8F4O
Molecular Weight268.21 g/mol
Exact Mass268.05
IUPAC Name4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C14H8F4O/c15-13-6-5-11(14(16,17)18)7-12(13)10-3-1-9(8-19)2-4-10/h1-8H
InChIKeyZTGOFUSMOFZJLP-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 54912239
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
3-(3,4-difluorophenyl)-4-fluorobenzaldehyde
CID 61033610
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde
CID 118874792
3-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]benzaldehyde
CID 102755549
3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde
CID 39232113
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
4-fluoro-3-(3,4,5-trifluorophenyl)benzaldehyde
CID 61240453
3-(3-chloro-4-fluorophenyl)-4-fluorobenzaldehyde
CID 115504370
1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde
CID 2763359

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde (CID 83810230) is 4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde is O=Cc1ccc(-c2cc(C(F)(F)F)ccc2F)cc1.
What is the InChIKey of 4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is ZTGOFUSMOFZJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O/c15-13-6-5-11(14(16,17)18)7-12(13)10-3-1-9(8-19)2-4-10/h1-8H.
What are the key properties of 4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde?
4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 268.21 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 83810230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).