2-(difluoromethoxy)-5-ethoxyterephthalaldehyde

C11H10F2O4 — CID 171026041

IUPAC2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
SMILESCCOc1cc(C=O)c(OC(F)F)cc1C=O
InChIInChI=1S/C11H10F2O4/c1-2-16-9-3-8(6-15)10(17-11(12)13)4-7(9)5-14/h3-6,11H,2H2,1H3
InChIKeyWOAOCAAWOAPMCS-UHFFFAOYSA-N
MW244.19 g/mol
LogP2.31
Rot. Bonds6

About 2-(difluoromethoxy)-5-ethoxyterephthalaldehyde

2-(difluoromethoxy)-5-ethoxyterephthalaldehyde (PubChem CID 171026041) has the molecular formula C11H10F2O4 and a molecular weight of 244.19 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-ethoxyterephthalaldehyde.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
PubChem CID171026041
Molecular FormulaC11H10F2O4
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
SMILESCCOc1cc(C=O)c(OC(F)F)cc1C=O
InChIInChI=1S/C11H10F2O4/c1-2-16-9-3-8(6-15)10(17-11(12)13)4-7(9)5-14/h3-6,11H,2H2,1H3
InChIKeyWOAOCAAWOAPMCS-UHFFFAOYSA-N
XLogP2.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(difluoromethoxy)-5-ethoxyterephthalaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethoxy)-5-fluoroterephthalaldehyde
CID 171026427
2-ethoxy-4-fluoro-5-iodobenzaldehyde
CID 131313075
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894
4-(difluoromethoxy)-5-(trifluoromethyl)phthalaldehyde
CID 171026121
4,5-diethoxy-2-hydroxybenzaldehyde
CID 22039093
3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enal
CID 79332023
5-(difluoromethyl)-3-ethoxyphthalaldehyde
CID 171028088
2-ethoxy-4-propan-2-yloxybenzaldehyde
CID 141193639
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
5-ethoxy-2-methoxy-4-(trifluoromethyl)benzaldehyde
CID 171417410
6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
CID 135381089
2-amino-4-chloro-5-ethoxybenzaldehyde
CID 130139421

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-ethoxyterephthalaldehyde?
The IUPAC name of 2-(difluoromethoxy)-5-ethoxyterephthalaldehyde (CID 171026041) is 2-(difluoromethoxy)-5-ethoxyterephthalaldehyde.
What is the SMILES notation for 2-(difluoromethoxy)-5-ethoxyterephthalaldehyde?
The canonical SMILES for 2-(difluoromethoxy)-5-ethoxyterephthalaldehyde is CCOc1cc(C=O)c(OC(F)F)cc1C=O.
What is the InChIKey of 2-(difluoromethoxy)-5-ethoxyterephthalaldehyde?
The InChIKey is WOAOCAAWOAPMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O4/c1-2-16-9-3-8(6-15)10(17-11(12)13)4-7(9)5-14/h3-6,11H,2H2,1H3.
What are the key properties of 2-(difluoromethoxy)-5-ethoxyterephthalaldehyde?
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde has a molecular weight of 244.19 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-ethoxyterephthalaldehyde is sourced from PubChem (CID 171026041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).