2-(3-chlorophenyl)-4,5-difluorobenzaldehyde

C13H7ClF2O — CID 172909463

IUPAC2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(F)cc1-c1cccc(Cl)c1
InChIInChI=1S/C13H7ClF2O/c14-10-3-1-2-8(4-10)11-6-13(16)12(15)5-9(11)7-17/h1-7H
InChIKeyNFWVGELAPHHKLM-UHFFFAOYSA-N
MW252.65 g/mol
LogP4.10
Rot. Bonds2

About 2-(3-chlorophenyl)-4,5-difluorobenzaldehyde

2-(3-chlorophenyl)-4,5-difluorobenzaldehyde (PubChem CID 172909463) has the molecular formula C13H7ClF2O and a molecular weight of 252.65 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,5-difluorobenzaldehyde.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
PubChem CID172909463
Molecular FormulaC13H7ClF2O
Molecular Weight252.65 g/mol
Exact Mass252.02
IUPAC Name2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(F)cc1-c1cccc(Cl)c1
InChIInChI=1S/C13H7ClF2O/c14-10-3-1-2-8(4-10)11-6-13(16)12(15)5-9(11)7-17/h1-7H
InChIKeyNFWVGELAPHHKLM-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-chlorophenyl)-4,5-difluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,5-difluorobenzaldehyde?
The IUPAC name of 2-(3-chlorophenyl)-4,5-difluorobenzaldehyde (CID 172909463) is 2-(3-chlorophenyl)-4,5-difluorobenzaldehyde.
What is the SMILES notation for 2-(3-chlorophenyl)-4,5-difluorobenzaldehyde?
The canonical SMILES for 2-(3-chlorophenyl)-4,5-difluorobenzaldehyde is O=Cc1cc(F)c(F)cc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4,5-difluorobenzaldehyde?
The InChIKey is NFWVGELAPHHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O/c14-10-3-1-2-8(4-10)11-6-13(16)12(15)5-9(11)7-17/h1-7H.
What are the key properties of 2-(3-chlorophenyl)-4,5-difluorobenzaldehyde?
2-(3-chlorophenyl)-4,5-difluorobenzaldehyde has a molecular weight of 252.65 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,5-difluorobenzaldehyde is sourced from PubChem (CID 172909463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).