3-phenyl-5-(trifluoromethoxy)benzaldehyde

C14H9F3O2 — CID 122475037

IUPAC3-phenyl-5-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1cc(OC(F)(F)F)cc(-c2ccccc2)c1
InChIInChI=1S/C14H9F3O2/c15-14(16,17)19-13-7-10(9-18)6-12(8-13)11-4-2-1-3-5-11/h1-9H
InChIKeyKTQVPBCVUCQSRU-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.06
Rot. Bonds3

About 3-phenyl-5-(trifluoromethoxy)benzaldehyde

3-phenyl-5-(trifluoromethoxy)benzaldehyde (PubChem CID 122475037) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-phenyl-5-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name3-phenyl-5-(trifluoromethoxy)benzaldehyde
PubChem CID122475037
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name3-phenyl-5-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1cc(OC(F)(F)F)cc(-c2ccccc2)c1
InChIInChI=1S/C14H9F3O2/c15-14(16,17)19-13-7-10(9-18)6-12(8-13)11-4-2-1-3-5-11/h1-9H
InChIKeyKTQVPBCVUCQSRU-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-phenyl-5-(trifluoromethoxy)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

3-(3-propan-2-ylphenyl)-5-(trifluoromethoxy)benzaldehyde
CID 175670422
3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde
CID 53221935
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729
3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde
CID 175670387
3-methyl-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 122475705
3-formyl-5-(trifluoromethoxy)benzoic acid
CID 154727146
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
3-fluoro-5-phenylbenzaldehyde
CID 122475031
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
3-(trifluoromethoxy)-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475563
3-fluoro-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzaldehyde
CID 122475753

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 3-phenyl-5-(trifluoromethoxy)benzaldehyde (CID 122475037) is 3-phenyl-5-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 3-phenyl-5-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 3-phenyl-5-(trifluoromethoxy)benzaldehyde is O=Cc1cc(OC(F)(F)F)cc(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-5-(trifluoromethoxy)benzaldehyde?
The InChIKey is KTQVPBCVUCQSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-14(16,17)19-13-7-10(9-18)6-12(8-13)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 3-phenyl-5-(trifluoromethoxy)benzaldehyde?
3-phenyl-5-(trifluoromethoxy)benzaldehyde has a molecular weight of 266.22 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 122475037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).