2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde

C13H7ClF2O2 — CID 90303730

IUPAC2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)cc(F)c1Oc1cccc(Cl)c1
InChIInChI=1S/C13H7ClF2O2/c14-9-2-1-3-11(5-9)18-13-8(7-17)4-10(15)6-12(13)16/h1-7H
InChIKeyKFSODAZMWSTYGK-UHFFFAOYSA-N
MW268.65 g/mol
LogP4.22
Rot. Bonds3

About 2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde

2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde (PubChem CID 90303730) has the molecular formula C13H7ClF2O2 and a molecular weight of 268.65 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde
PubChem CID90303730
Molecular FormulaC13H7ClF2O2
Molecular Weight268.65 g/mol
Exact Mass268.01
IUPAC Name2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)cc(F)c1Oc1cccc(Cl)c1
InChIInChI=1S/C13H7ClF2O2/c14-9-2-1-3-11(5-9)18-13-8(7-17)4-10(15)6-12(13)16/h1-7H
InChIKeyKFSODAZMWSTYGK-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde?
The IUPAC name of 2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde (CID 90303730) is 2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde.
What is the SMILES notation for 2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde?
The canonical SMILES for 2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde is O=Cc1cc(F)cc(F)c1Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde?
The InChIKey is KFSODAZMWSTYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O2/c14-9-2-1-3-11(5-9)18-13-8(7-17)4-10(15)6-12(13)16/h1-7H.
What are the key properties of 2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde?
2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde 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 2-(3-chlorophenoxy)-3,5-difluorobenzaldehyde is sourced from PubChem (CID 90303730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).