2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde

C15H12F2O — CID 172909442

IUPAC2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde
SMILESCc1ccc(-c2cc(F)c(F)cc2C=O)c(C)c1
InChIInChI=1S/C15H12F2O/c1-9-3-4-12(10(2)5-9)13-7-15(17)14(16)6-11(13)8-18/h3-8H,1-2H3
InChIKeyCRCISJKAOUKELI-UHFFFAOYSA-N
MW246.26 g/mol
LogP4.06
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde

2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde (PubChem CID 172909442) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde
PubChem CID172909442
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde
SMILESCc1ccc(-c2cc(F)c(F)cc2C=O)c(C)c1
InChIInChI=1S/C15H12F2O/c1-9-3-4-12(10(2)5-9)13-7-15(17)14(16)6-11(13)8-18/h3-8H,1-2H3
InChIKeyCRCISJKAOUKELI-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde?
The IUPAC name of 2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde (CID 172909442) is 2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde is Cc1ccc(-c2cc(F)c(F)cc2C=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde?
The InChIKey is CRCISJKAOUKELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-9-3-4-12(10(2)5-9)13-7-15(17)14(16)6-11(13)8-18/h3-8H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde?
2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde has a molecular weight of 246.26 g/mol, XLogP of 4.06, 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)-4,5-difluorobenzaldehyde is sourced from PubChem (CID 172909442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).