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

C9H5Cl2F3O2 — CID 59803842

IUPAC2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde
SMILESO=Cc1c(Cl)ccc(OCC(F)(F)F)c1Cl
InChIInChI=1S/C9H5Cl2F3O2/c10-6-1-2-7(8(11)5(6)3-15)16-4-9(12,13)14/h1-3H,4H2
InChIKeyYUYNKNONESNAHN-UHFFFAOYSA-N
MW273.04 g/mol
LogP3.75
Rot. Bonds3

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

2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde (PubChem CID 59803842) has the molecular formula C9H5Cl2F3O2 and a molecular weight of 273.04 g/mol. Its IUPAC name is 2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde.

Molecular Properties

Compound Name2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde
PubChem CID59803842
Molecular FormulaC9H5Cl2F3O2
Molecular Weight273.04 g/mol
Exact Mass271.96
IUPAC Name2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde
SMILESO=Cc1c(Cl)ccc(OCC(F)(F)F)c1Cl
InChIInChI=1S/C9H5Cl2F3O2/c10-6-1-2-7(8(11)5(6)3-15)16-4-9(12,13)14/h1-3H,4H2
InChIKeyYUYNKNONESNAHN-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 53.75
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 2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde?
The IUPAC name of 2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde (CID 59803842) is 2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde.
What is the SMILES notation for 2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde?
The canonical SMILES for 2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde is O=Cc1c(Cl)ccc(OCC(F)(F)F)c1Cl.
What is the InChIKey of 2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde?
The InChIKey is YUYNKNONESNAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3O2/c10-6-1-2-7(8(11)5(6)3-15)16-4-9(12,13)14/h1-3H,4H2.
What are the key properties of 2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde?
2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde has a molecular weight of 273.04 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(2,2,2-trifluoroethoxy)benzaldehyde is sourced from PubChem (CID 59803842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).