3-phenyl-4-(trifluoromethyl)benzaldehyde

C14H9F3O — CID 46314974

IUPAC3-phenyl-4-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c(-c2ccccc2)c1
InChIInChI=1S/C14H9F3O/c15-14(16,17)13-7-6-10(9-18)8-12(13)11-4-2-1-3-5-11/h1-9H
InChIKeyXLIZMXVHUNZONH-UHFFFAOYSA-N
MW250.22 g/mol
LogP4.18
Rot. Bonds2

About 3-phenyl-4-(trifluoromethyl)benzaldehyde

3-phenyl-4-(trifluoromethyl)benzaldehyde (PubChem CID 46314974) has the molecular formula C14H9F3O and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-phenyl-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name3-phenyl-4-(trifluoromethyl)benzaldehyde
PubChem CID46314974
Molecular FormulaC14H9F3O
Molecular Weight250.22 g/mol
Exact Mass250.06
IUPAC Name3-phenyl-4-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c(-c2ccccc2)c1
InChIInChI=1S/C14H9F3O/c15-14(16,17)13-7-6-10(9-18)8-12(13)11-4-2-1-3-5-11/h1-9H
InChIKeyXLIZMXVHUNZONH-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[5-fluoro-2-(trifluoromethyl)phenyl]benzaldehyde
CID 118874792
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde
CID 134617334
3,4-bis(2-phenylphenyl)benzaldehyde
CID 141272209
4-methyl-2-phenyl-1-(trifluoromethyl)benzene
CID 46315075
3-hydroxy-4-phenylbenzaldehyde
CID 23143847
4-phenyl-3-phosphanylbenzaldehyde
CID 118281637
CID 156710734
CID 156710734
3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde
CID 164915077
methyl 3-phenyl-4-(trifluoromethyl)benzoate
CID 11044155
4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 54912239
4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-(trifluoromethyl)benzaldehyde
CID 139490393
4-[4-(trifluoromethyl)-3-pyridinyl]benzaldehyde
CID 102708678

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 3-phenyl-4-(trifluoromethyl)benzaldehyde (CID 46314974) is 3-phenyl-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 3-phenyl-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 3-phenyl-4-(trifluoromethyl)benzaldehyde is O=Cc1ccc(C(F)(F)F)c(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-4-(trifluoromethyl)benzaldehyde?
The InChIKey is XLIZMXVHUNZONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O/c15-14(16,17)13-7-6-10(9-18)8-12(13)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 3-phenyl-4-(trifluoromethyl)benzaldehyde?
3-phenyl-4-(trifluoromethyl)benzaldehyde has a molecular weight of 250.22 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 46314974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).