2-(difluoromethoxy)-6-hydroxyterephthalaldehyde

C9H6F2O4 — CID 171027872

IUPAC2-(difluoromethoxy)-6-hydroxyterephthalaldehyde
SMILESO=Cc1cc(O)c(C=O)c(OC(F)F)c1
InChIInChI=1S/C9H6F2O4/c10-9(11)15-8-2-5(3-12)1-7(14)6(8)4-13/h1-4,9,14H
InChIKeyRIDGVAYXKIROLK-UHFFFAOYSA-N
MW216.14 g/mol
LogP1.62
Rot. Bonds4

About 2-(difluoromethoxy)-6-hydroxyterephthalaldehyde

2-(difluoromethoxy)-6-hydroxyterephthalaldehyde (PubChem CID 171027872) has the molecular formula C9H6F2O4 and a molecular weight of 216.14 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-hydroxyterephthalaldehyde.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-hydroxyterephthalaldehyde
PubChem CID171027872
Molecular FormulaC9H6F2O4
Molecular Weight216.14 g/mol
Exact Mass216.02
IUPAC Name2-(difluoromethoxy)-6-hydroxyterephthalaldehyde
SMILESO=Cc1cc(O)c(C=O)c(OC(F)F)c1
InChIInChI=1S/C9H6F2O4/c10-9(11)15-8-2-5(3-12)1-7(14)6(8)4-13/h1-4,9,14H
InChIKeyRIDGVAYXKIROLK-UHFFFAOYSA-N
XLogP1.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethoxy)-3-hydroxyphthalaldehyde
CID 171027840
2-(difluoromethoxy)-4-formyl-6-methylbenzoic acid
CID 171032084
2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid
CID 171026323
3-acetyl-5-(difluoromethoxy)-4-iodobenzaldehyde
CID 171032052
(E)-3-[2-(difluoromethoxy)-4-formyl-6-nitrophenyl]prop-2-enoic acid
CID 171027457
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
2-bromopropane;4-(difluoromethoxy)-3-hydroxybenzaldehyde;4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde;4-(difluoromethoxy)-3-propan-2-yloxybenzoic acid
CID 165067170
4-acetyl-2-(difluoromethoxy)-6-methylbenzaldehyde
CID 171032070
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
3-(difluoromethoxy)-4-methyl-5-nitrobenzaldehyde
CID 171032273
7-(difluoromethoxy)-3H-benzimidazole-5-carbaldehyde
CID 131435625
2-[2-cyano-6-(difluoromethoxy)-4-formylphenyl]-2-hydroxyacetic acid
CID 171030873

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-hydroxyterephthalaldehyde?
The IUPAC name of 2-(difluoromethoxy)-6-hydroxyterephthalaldehyde (CID 171027872) is 2-(difluoromethoxy)-6-hydroxyterephthalaldehyde.
What is the SMILES notation for 2-(difluoromethoxy)-6-hydroxyterephthalaldehyde?
The canonical SMILES for 2-(difluoromethoxy)-6-hydroxyterephthalaldehyde is O=Cc1cc(O)c(C=O)c(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-6-hydroxyterephthalaldehyde?
The InChIKey is RIDGVAYXKIROLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O4/c10-9(11)15-8-2-5(3-12)1-7(14)6(8)4-13/h1-4,9,14H.
What are the key properties of 2-(difluoromethoxy)-6-hydroxyterephthalaldehyde?
2-(difluoromethoxy)-6-hydroxyterephthalaldehyde has a molecular weight of 216.14 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-hydroxyterephthalaldehyde is sourced from PubChem (CID 171027872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).