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

C8H4Cl2F2O2 — CID 121228177

IUPAC3,6-dichloro-2-(difluoromethoxy)benzaldehyde
SMILESO=Cc1c(Cl)ccc(Cl)c1OC(F)F
InChIInChI=1S/C8H4Cl2F2O2/c9-5-1-2-6(10)7(4(5)3-13)14-8(11)12/h1-3,8H
InChIKeyKESHYSCRQDYNGD-UHFFFAOYSA-N
MW241.02 g/mol
LogP3.41
Rot. Bonds3

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

3,6-dichloro-2-(difluoromethoxy)benzaldehyde (PubChem CID 121228177) has the molecular formula C8H4Cl2F2O2 and a molecular weight of 241.02 g/mol. Its IUPAC name is 3,6-dichloro-2-(difluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name3,6-dichloro-2-(difluoromethoxy)benzaldehyde
PubChem CID121228177
Molecular FormulaC8H4Cl2F2O2
Molecular Weight241.02 g/mol
Exact Mass239.96
IUPAC Name3,6-dichloro-2-(difluoromethoxy)benzaldehyde
SMILESO=Cc1c(Cl)ccc(Cl)c1OC(F)F
InChIInChI=1S/C8H4Cl2F2O2/c9-5-1-2-6(10)7(4(5)3-13)14-8(11)12/h1-3,8H
InChIKeyKESHYSCRQDYNGD-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-acetyl-6-chloro-2-(difluoromethoxy)benzaldehyde
CID 171006600
2,3-dichloro-6-(difluoromethoxy)benzaldehyde
CID 121228172
3-chloro-2-(difluoromethoxy)benzaldehyde
CID 112611467
4-chloro-3-(difluoromethoxy)pyridine-2-carbaldehyde
CID 130779479
4-chloro-2-(difluoromethoxy)pyridine-3-carbaldehyde
CID 118839602
1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
CID 118807817
2-(difluoromethoxy)-3,6-dimethylbenzaldehyde
CID 131525568
3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde
CID 171002242
1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
CID 130836038
6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247
2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
CID 119020580
2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 121228253

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-(difluoromethoxy)benzaldehyde?
The IUPAC name of 3,6-dichloro-2-(difluoromethoxy)benzaldehyde (CID 121228177) is 3,6-dichloro-2-(difluoromethoxy)benzaldehyde.
What is the SMILES notation for 3,6-dichloro-2-(difluoromethoxy)benzaldehyde?
The canonical SMILES for 3,6-dichloro-2-(difluoromethoxy)benzaldehyde is O=Cc1c(Cl)ccc(Cl)c1OC(F)F.
What is the InChIKey of 3,6-dichloro-2-(difluoromethoxy)benzaldehyde?
The InChIKey is KESHYSCRQDYNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F2O2/c9-5-1-2-6(10)7(4(5)3-13)14-8(11)12/h1-3,8H.
What are the key properties of 3,6-dichloro-2-(difluoromethoxy)benzaldehyde?
3,6-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 3,6-dichloro-2-(difluoromethoxy)benzaldehyde is sourced from PubChem (CID 121228177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).