4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid

C9H8F2O4 — CID 10242483

IUPAC4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OCC(F)F)cc1O
InChIInChI=1S/C9H8F2O4/c10-8(11)4-15-5-1-2-6(9(13)14)7(12)3-5/h1-3,8,12H,4H2,(H,13,14)
InChIKeyPDABMVMZLWKORK-UHFFFAOYSA-N
MW218.15 g/mol
LogP1.73
Rot. Bonds4

About 4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid

4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid (PubChem CID 10242483) has the molecular formula C9H8F2O4 and a molecular weight of 218.15 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
PubChem CID10242483
Molecular FormulaC9H8F2O4
Molecular Weight218.15 g/mol
Exact Mass218.04
IUPAC Name4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OCC(F)F)cc1O
InChIInChI=1S/C9H8F2O4/c10-8(11)4-15-5-1-2-6(9(13)14)7(12)3-5/h1-3,8,12H,4H2,(H,13,14)
InChIKeyPDABMVMZLWKORK-UHFFFAOYSA-N
XLogP1.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
4-chloro-2-(2,2-difluoroethoxy)benzoic acid
CID 61379224
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045
2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 19857055
4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91682681
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid
CID 22971768
4-(2-fluoro-4-hydroxybutoxy)phthalic acid
CID 174207072
bis[4-(2,3-dihydroxypropoxy)-2-hydroxyphenyl]methanone
CID 86172123

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid?
The IUPAC name of 4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid (CID 10242483) is 4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid is O=C(O)c1ccc(OCC(F)F)cc1O.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid?
The InChIKey is PDABMVMZLWKORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O4/c10-8(11)4-15-5-1-2-6(9(13)14)7(12)3-5/h1-3,8,12H,4H2,(H,13,14).
What are the key properties of 4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid?
4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid has a molecular weight of 218.15 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid is sourced from PubChem (CID 10242483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).