2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde

C15H11F3O — CID 172649099

IUPAC2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
SMILESCc1cccc(-c2ccc(C(F)(F)F)cc2C=O)c1
InChIInChI=1S/C15H11F3O/c1-10-3-2-4-11(7-10)14-6-5-13(15(16,17)18)8-12(14)9-19/h2-9H,1H3
InChIKeyAKRROAVJRMNBFR-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.49
Rot. Bonds2

About 2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde

2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde (PubChem CID 172649099) has the molecular formula C15H11F3O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
PubChem CID172649099
Molecular FormulaC15H11F3O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
SMILESCc1cccc(-c2ccc(C(F)(F)F)cc2C=O)c1
InChIInChI=1S/C15H11F3O/c1-10-3-2-4-11(7-10)14-6-5-13(15(16,17)18)8-12(14)9-19/h2-9H,1H3
InChIKeyAKRROAVJRMNBFR-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.49
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

2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649093
5-methoxy-2-(3-methylphenyl)benzaldehyde
CID 90346664
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 170835758
5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]benzaldehyde
CID 169095272
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde
CID 54912502
4-(trifluoromethyl)phthalaldehyde
CID 23496648
3-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 68949773
(E)-3-[2-(3-fluorophenyl)-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 46313346
2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089606

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde (CID 172649099) is 2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde is Cc1cccc(-c2ccc(C(F)(F)F)cc2C=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde?
The InChIKey is AKRROAVJRMNBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O/c1-10-3-2-4-11(7-10)14-6-5-13(15(16,17)18)8-12(14)9-19/h2-9H,1H3.
What are the key properties of 2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde?
2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde has a molecular weight of 264.25 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 172649099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).