2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde

C13H7Cl2FO2 — CID 89397150

IUPAC2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl2FO2/c14-10-5-4-9(6-11(10)15)18-13-8(7-17)2-1-3-12(13)16/h1-7H
InChIKeyQXZQHHFJZGRWEE-UHFFFAOYSA-N
MW285.10 g/mol
LogP4.74
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde

2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde (PubChem CID 89397150) has the molecular formula C13H7Cl2FO2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde
PubChem CID89397150
Molecular FormulaC13H7Cl2FO2
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl2FO2/c14-10-5-4-9(6-11(10)15)18-13-8(7-17)2-1-3-12(13)16/h1-7H
InChIKeyQXZQHHFJZGRWEE-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-(1,3-benzodioxol-5-yloxy)-3-fluorobenzaldehyde
CID 114067205
2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid
CID 55101715
2-chloro-4-(3,4-dichlorophenoxy)benzaldehyde
CID 114064183
2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde
CID 90303730
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 114067267
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712
3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde
CID 114067235
2-chloro-5-phenoxybenzaldehyde
CID 131420183
3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde
CID 114067263
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde?
The IUPAC name of 2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde (CID 89397150) is 2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde is O=Cc1cccc(F)c1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde?
The InChIKey is QXZQHHFJZGRWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO2/c14-10-5-4-9(6-11(10)15)18-13-8(7-17)2-1-3-12(13)16/h1-7H.
What are the key properties of 2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde?
2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde 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 2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 89397150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).