2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid

C10H7F3O5 — CID 171026323

IUPAC2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid
SMILESO=Cc1cc(OC(F)F)c(F)c(C(O)C(=O)O)c1
InChIInChI=1S/C10H7F3O5/c11-7-5(8(15)9(16)17)1-4(3-14)2-6(7)18-10(12)13/h1-3,8,10,15H,(H,16,17)
InChIKeyVIOCQUSIPNQIIX-UHFFFAOYSA-N
MW264.15 g/mol
LogP1.36
Rot. Bonds5

About 2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid

2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid (PubChem CID 171026323) has the molecular formula C10H7F3O5 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid
PubChem CID171026323
Molecular FormulaC10H7F3O5
Molecular Weight264.15 g/mol
Exact Mass264.02
IUPAC Name2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid
SMILESO=Cc1cc(OC(F)F)c(F)c(C(O)C(=O)O)c1
InChIInChI=1S/C10H7F3O5/c11-7-5(8(15)9(16)17)1-4(3-14)2-6(7)18-10(12)13/h1-3,8,10,15H,(H,16,17)
InChIKeyVIOCQUSIPNQIIX-UHFFFAOYSA-N
XLogP1.36
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-cyano-6-(difluoromethoxy)-4-formylphenyl]-2-hydroxyacetic acid
CID 171030873
2-[2-(difluoromethoxy)-5-fluoro-3-formylphenyl]-2-hydroxyacetic acid
CID 171026260
2-(difluoromethoxy)-4-formyl-6-methylbenzoic acid
CID 171032084
2-[2-cyano-4-(difluoromethoxy)-5-formylphenyl]-2-hydroxyacetic acid
CID 171030869
(2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129360
2-(difluoromethoxy)-6-hydroxyterephthalaldehyde
CID 171027872
2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid
CID 171026626
3-acetyl-5-(difluoromethoxy)-4-iodobenzaldehyde
CID 171032052
2-[4-cyano-3-(difluoromethoxy)-5-formylphenyl]-2-hydroxyacetic acid
CID 171030881
3-[4-[carboxy(hydroxy)methyl]-3-(difluoromethoxy)phenyl]propanoic acid
CID 134656553
2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid
CID 171009531
3-(difluoromethoxy)-4-methyl-5-nitrobenzaldehyde
CID 171032273

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid (CID 171026323) is 2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid is O=Cc1cc(OC(F)F)c(F)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid?
The InChIKey is VIOCQUSIPNQIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O5/c11-7-5(8(15)9(16)17)1-4(3-14)2-6(7)18-10(12)13/h1-3,8,10,15H,(H,16,17).
What are the key properties of 2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid?
2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid has a molecular weight of 264.15 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 171026323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).