4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde

C13H7ClF2O2 — CID 63877969

IUPAC4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(Oc2ccc(F)c(Cl)c2)c(F)c1
InChIInChI=1S/C13H7ClF2O2/c14-10-6-9(2-3-11(10)15)18-13-4-1-8(7-17)5-12(13)16/h1-7H
InChIKeyCOXPYTIYHUIIGK-UHFFFAOYSA-N
MW268.65 g/mol
LogP4.22
Rot. Bonds3

About 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde

4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde (PubChem CID 63877969) has the molecular formula C13H7ClF2O2 and a molecular weight of 268.65 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
PubChem CID63877969
Molecular FormulaC13H7ClF2O2
Molecular Weight268.65 g/mol
Exact Mass268.01
IUPAC Name4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(Oc2ccc(F)c(Cl)c2)c(F)c1
InChIInChI=1S/C13H7ClF2O2/c14-10-6-9(2-3-11(10)15)18-13-4-1-8(7-17)5-12(13)16/h1-7H
InChIKeyCOXPYTIYHUIIGK-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
4-(3-chloro-4-fluorophenoxy)-3-nitrobenzaldehyde
CID 9281846
3-chloro-4-(4-chlorophenoxy)benzaldehyde;3-chloro-4-fluorobenzaldehyde;4-chlorophenol
CID 164986492
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde
CID 29272244
4-(4-chloro-3-fluorophenoxy)-3-nitrobenzaldehyde
CID 82716350
3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
4-amino-3-nitrophenol;4-(4-amino-3-nitrophenoxy)-3-chlorobenzaldehyde;3-chloro-4-fluorobenzaldehyde
CID 158719126
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
CID 114673909
4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
CID 13368776

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde?
The IUPAC name of 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde (CID 63877969) is 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde is O=Cc1ccc(Oc2ccc(F)c(Cl)c2)c(F)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde?
The InChIKey is COXPYTIYHUIIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O2/c14-10-6-9(2-3-11(10)15)18-13-4-1-8(7-17)5-12(13)16/h1-7H.
What are the key properties of 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde?
4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde has a molecular weight of 268.65 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 63877969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).