3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde

C13H7Cl2FO2 — CID 114067263

IUPAC3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde
SMILESO=Cc1cccc(Cl)c1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H7Cl2FO2/c14-9-4-2-6-11(12(9)16)18-13-8(7-17)3-1-5-10(13)15/h1-7H
InChIKeyGHLORAUUGUCLFS-UHFFFAOYSA-N
MW285.10 g/mol
LogP4.74
Rot. Bonds3

About 3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde

3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde (PubChem CID 114067263) has the molecular formula C13H7Cl2FO2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde
PubChem CID114067263
Molecular FormulaC13H7Cl2FO2
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde
SMILESO=Cc1cccc(Cl)c1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H7Cl2FO2/c14-9-4-2-6-11(12(9)16)18-13-8(7-17)3-1-5-10(13)15/h1-7H
InChIKeyGHLORAUUGUCLFS-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde
CID 116689347
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
3-chloro-2-(difluoromethoxy)benzaldehyde
CID 112611467
3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde
CID 114067235
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
CID 112611434
3-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116689745
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde
CID 89397150
2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731
4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
CID 114844667
3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde?
The IUPAC name of 3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde (CID 114067263) is 3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde?
The canonical SMILES for 3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde is O=Cc1cccc(Cl)c1Oc1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde?
The InChIKey is GHLORAUUGUCLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO2/c14-9-4-2-6-11(12(9)16)18-13-8(7-17)3-1-5-10(13)15/h1-7H.
What are the key properties of 3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde?
3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde has a molecular weight of 285.10 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde is sourced from PubChem (CID 114067263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).