2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde

C14H10F2O2 — CID 135055450

IUPAC2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2cc(F)cc(F)c2C=O)cc1
InChIInChI=1S/C14H10F2O2/c1-18-11-4-2-9(3-5-11)12-6-10(15)7-14(16)13(12)8-17/h2-8H,1H3
InChIKeyBACGAQROYFBSKP-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.45
Rot. Bonds3

About 2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde

2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde (PubChem CID 135055450) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde
PubChem CID135055450
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2cc(F)cc(F)c2C=O)cc1
InChIInChI=1S/C14H10F2O2/c1-18-11-4-2-9(3-5-11)12-6-10(15)7-14(16)13(12)8-17/h2-8H,1H3
InChIKeyBACGAQROYFBSKP-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde?
The IUPAC name of 2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde (CID 135055450) is 2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde?
The canonical SMILES for 2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde is COc1ccc(-c2cc(F)cc(F)c2C=O)cc1.
What is the InChIKey of 2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde?
The InChIKey is BACGAQROYFBSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-18-11-4-2-9(3-5-11)12-6-10(15)7-14(16)13(12)8-17/h2-8H,1H3.
What are the key properties of 2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde?
2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde has a molecular weight of 248.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 135055450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).