2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde

C16H13F3O — CID 172649093

IUPAC2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2C=O)c(C)c1
InChIInChI=1S/C16H13F3O/c1-10-3-5-14(11(2)7-10)15-6-4-13(16(17,18)19)8-12(15)9-20/h3-9H,1-2H3
InChIKeyDVGAYYYARSDISR-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.80
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde

2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde (PubChem CID 172649093) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde
PubChem CID172649093
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2C=O)c(C)c1
InChIInChI=1S/C16H13F3O/c1-10-3-5-14(11(2)7-10)15-6-4-13(16(17,18)19)8-12(15)9-20/h3-9H,1-2H3
InChIKeyDVGAYYYARSDISR-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.80
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-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649099
2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde
CID 172909442
3-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]benzaldehyde
CID 102755549
4-chloro-2-[2-methyl-4-(trifluoromethyl)phenyl]benzaldehyde
CID 102755539
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
5-chloro-2-(2,4-dimethylphenyl)benzaldehyde
CID 66161659
4-(trifluoromethyl)phthalaldehyde
CID 23496648
2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde
CID 172649146
2,3-dimethyl-5-(trifluoromethyl)benzaldehyde
CID 162568295
2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene
CID 20697245
[2-formyl-4-(trifluoromethyl)phenyl]boronic acid
CID 53216333
5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]benzaldehyde
CID 169095272

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde (CID 172649093) is 2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde is Cc1ccc(-c2ccc(C(F)(F)F)cc2C=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde?
The InChIKey is DVGAYYYARSDISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-10-3-5-14(11(2)7-10)15-6-4-13(16(17,18)19)8-12(15)9-20/h3-9H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde?
2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde has a molecular weight of 278.27 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 172649093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).