3,5-dichloro-2-(difluoromethoxy)benzaldehyde

C8H4Cl2F2O2 — CID 43515924

IUPAC3,5-dichloro-2-(difluoromethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OC(F)F
InChIInChI=1S/C8H4Cl2F2O2/c9-5-1-4(3-13)7(6(10)2-5)14-8(11)12/h1-3,8H
InChIKeyYCQQNUKUULYBSX-UHFFFAOYSA-N
MW241.02 g/mol
LogP3.41
Rot. Bonds3

About 3,5-dichloro-2-(difluoromethoxy)benzaldehyde

3,5-dichloro-2-(difluoromethoxy)benzaldehyde (PubChem CID 43515924) has the molecular formula C8H4Cl2F2O2 and a molecular weight of 241.02 g/mol. Its IUPAC name is 3,5-dichloro-2-(difluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-2-(difluoromethoxy)benzaldehyde
PubChem CID43515924
Molecular FormulaC8H4Cl2F2O2
Molecular Weight241.02 g/mol
Exact Mass239.96
IUPAC Name3,5-dichloro-2-(difluoromethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)cc(Cl)c1OC(F)F
InChIInChI=1S/C8H4Cl2F2O2/c9-5-1-4(3-13)7(6(10)2-5)14-8(11)12/h1-3,8H
InChIKeyYCQQNUKUULYBSX-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.02
LogP ≤ 53.41
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 3,5-dichloro-2-(difluoromethoxy)benzaldehyde?
The IUPAC name of 3,5-dichloro-2-(difluoromethoxy)benzaldehyde (CID 43515924) is 3,5-dichloro-2-(difluoromethoxy)benzaldehyde.
What is the SMILES notation for 3,5-dichloro-2-(difluoromethoxy)benzaldehyde?
The canonical SMILES for 3,5-dichloro-2-(difluoromethoxy)benzaldehyde is O=Cc1cc(Cl)cc(Cl)c1OC(F)F.
What is the InChIKey of 3,5-dichloro-2-(difluoromethoxy)benzaldehyde?
The InChIKey is YCQQNUKUULYBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F2O2/c9-5-1-4(3-13)7(6(10)2-5)14-8(11)12/h1-3,8H.
What are the key properties of 3,5-dichloro-2-(difluoromethoxy)benzaldehyde?
3,5-dichloro-2-(difluoromethoxy)benzaldehyde has a molecular weight of 241.02 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(difluoromethoxy)benzaldehyde is sourced from PubChem (CID 43515924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).