2,3-dichloro-6-(difluoromethoxy)benzaldehyde

C8H4Cl2F2O2 — CID 121228172

IUPAC2,3-dichloro-6-(difluoromethoxy)benzaldehyde
SMILESO=Cc1c(OC(F)F)ccc(Cl)c1Cl
InChIInChI=1S/C8H4Cl2F2O2/c9-5-1-2-6(14-8(11)12)4(3-13)7(5)10/h1-3,8H
InChIKeyZHINJTNPXKGAPU-UHFFFAOYSA-N
MW241.02 g/mol
LogP3.41
Rot. Bonds3

About 2,3-dichloro-6-(difluoromethoxy)benzaldehyde

2,3-dichloro-6-(difluoromethoxy)benzaldehyde (PubChem CID 121228172) has the molecular formula C8H4Cl2F2O2 and a molecular weight of 241.02 g/mol. Its IUPAC name is 2,3-dichloro-6-(difluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name2,3-dichloro-6-(difluoromethoxy)benzaldehyde
PubChem CID121228172
Molecular FormulaC8H4Cl2F2O2
Molecular Weight241.02 g/mol
Exact Mass239.96
IUPAC Name2,3-dichloro-6-(difluoromethoxy)benzaldehyde
SMILESO=Cc1c(OC(F)F)ccc(Cl)c1Cl
InChIInChI=1S/C8H4Cl2F2O2/c9-5-1-2-6(14-8(11)12)4(3-13)7(5)10/h1-3,8H
InChIKeyZHINJTNPXKGAPU-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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Related Compounds

3,6-dichloro-2-(difluoromethoxy)benzaldehyde
CID 121228177
2-bromo-6-(difluoromethoxy)-3-methylbenzaldehyde
CID 131351090
2-bromo-6-(difluoromethoxy)benzaldehyde
CID 118141947
6-(difluoromethoxy)-2-fluoro-3-nitrobenzaldehyde
CID 171031933
4-chloro-2-(difluoromethoxy)pyridine-3-carbaldehyde
CID 118839602
3-acetyl-6-chloro-2-(difluoromethoxy)benzaldehyde
CID 171006600
2-[2,6-dichloro-3-(difluoromethoxy)phenyl]acetonitrile
CID 118998262
1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119005607
1-[2-bromo-3-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131586320
(2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129424
1,2,3-trichloro-4-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622361
2-(1-chloro-2-oxopropyl)-6-(difluoromethoxy)benzaldehyde
CID 170837646

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-(difluoromethoxy)benzaldehyde?
The IUPAC name of 2,3-dichloro-6-(difluoromethoxy)benzaldehyde (CID 121228172) is 2,3-dichloro-6-(difluoromethoxy)benzaldehyde.
What is the SMILES notation for 2,3-dichloro-6-(difluoromethoxy)benzaldehyde?
The canonical SMILES for 2,3-dichloro-6-(difluoromethoxy)benzaldehyde is O=Cc1c(OC(F)F)ccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-6-(difluoromethoxy)benzaldehyde?
The InChIKey is ZHINJTNPXKGAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F2O2/c9-5-1-2-6(14-8(11)12)4(3-13)7(5)10/h1-3,8H.
What are the key properties of 2,3-dichloro-6-(difluoromethoxy)benzaldehyde?
2,3-dichloro-6-(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 2,3-dichloro-6-(difluoromethoxy)benzaldehyde is sourced from PubChem (CID 121228172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).