2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid

C9H7F2NO4 — CID 103513232

IUPAC2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1NC(=O)C(F)F
InChIInChI=1S/C9H7F2NO4/c10-7(11)8(14)12-6-2-1-4(13)3-5(6)9(15)16/h1-3,7,13H,(H,12,14)(H,15,16)
InChIKeyPIBPNYIBOGXQLG-UHFFFAOYSA-N
MW231.15 g/mol
LogP1.29
Rot. Bonds3

About 2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid

2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid (PubChem CID 103513232) has the molecular formula C9H7F2NO4 and a molecular weight of 231.15 g/mol. Its IUPAC name is 2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid
PubChem CID103513232
Molecular FormulaC9H7F2NO4
Molecular Weight231.15 g/mol
Exact Mass231.03
IUPAC Name2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1NC(=O)C(F)F
InChIInChI=1S/C9H7F2NO4/c10-7(11)8(14)12-6-2-1-4(13)3-5(6)9(15)16/h1-3,7,13H,(H,12,14)(H,15,16)
InChIKeyPIBPNYIBOGXQLG-UHFFFAOYSA-N
XLogP1.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-hydroxybenzoic acid
CID 61406263
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
2-(2-cyclopropylpropanoylamino)-5-hydroxybenzoic acid
CID 83146824
2-[(4-amino-2-methylbutanoyl)amino]-5-hydroxybenzoic acid
CID 80543580
5-[(2,2-difluoroacetyl)amino]-2,4-difluorobenzoic acid
CID 103513190
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61405952
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249
5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid
CID 61471337
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid
CID 62416782
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid (CID 103513232) is 2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid is O=C(O)c1cc(O)ccc1NC(=O)C(F)F.
What is the InChIKey of 2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid?
The InChIKey is PIBPNYIBOGXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO4/c10-7(11)8(14)12-6-2-1-4(13)3-5(6)9(15)16/h1-3,7,13H,(H,12,14)(H,15,16).
What are the key properties of 2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid?
2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid has a molecular weight of 231.15 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 103513232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).