2,6-difluoro-3-(4-methylphenyl)benzaldehyde

C14H10F2O — CID 164894314

IUPAC2,6-difluoro-3-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccc(F)c(C=O)c2F)cc1
InChIInChI=1S/C14H10F2O/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(8-17)14(11)16/h2-8H,1H3
InChIKeyBOXGZJOJVHAXOF-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.75
Rot. Bonds2

About 2,6-difluoro-3-(4-methylphenyl)benzaldehyde

2,6-difluoro-3-(4-methylphenyl)benzaldehyde (PubChem CID 164894314) has the molecular formula C14H10F2O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2,6-difluoro-3-(4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name2,6-difluoro-3-(4-methylphenyl)benzaldehyde
PubChem CID164894314
Molecular FormulaC14H10F2O
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name2,6-difluoro-3-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccc(F)c(C=O)c2F)cc1
InChIInChI=1S/C14H10F2O/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(8-17)14(11)16/h2-8H,1H3
InChIKeyBOXGZJOJVHAXOF-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.75
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 2,6-difluoro-3-(4-methylphenyl)benzaldehyde?
The IUPAC name of 2,6-difluoro-3-(4-methylphenyl)benzaldehyde (CID 164894314) is 2,6-difluoro-3-(4-methylphenyl)benzaldehyde.
What is the SMILES notation for 2,6-difluoro-3-(4-methylphenyl)benzaldehyde?
The canonical SMILES for 2,6-difluoro-3-(4-methylphenyl)benzaldehyde is Cc1ccc(-c2ccc(F)c(C=O)c2F)cc1.
What is the InChIKey of 2,6-difluoro-3-(4-methylphenyl)benzaldehyde?
The InChIKey is BOXGZJOJVHAXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(8-17)14(11)16/h2-8H,1H3.
What are the key properties of 2,6-difluoro-3-(4-methylphenyl)benzaldehyde?
2,6-difluoro-3-(4-methylphenyl)benzaldehyde has a molecular weight of 232.23 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(4-methylphenyl)benzaldehyde is sourced from PubChem (CID 164894314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).