4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid

C9H10F2N2O2 — CID 83026505

IUPAC4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid
SMILESCN(C)Nc1ccc(C(=O)O)c(F)c1F
InChIInChI=1S/C9H10F2N2O2/c1-13(2)12-6-4-3-5(9(14)15)7(10)8(6)11/h3-4,12H,1-2H3,(H,14,15)
InChIKeyLGAWWKSKBZDZDC-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.55
Rot. Bonds3

About 4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid

4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid (PubChem CID 83026505) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid.

Molecular Properties

Compound Name4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid
PubChem CID83026505
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid
SMILESCN(C)Nc1ccc(C(=O)O)c(F)c1F
InChIInChI=1S/C9H10F2N2O2/c1-13(2)12-6-4-3-5(9(14)15)7(10)8(6)11/h3-4,12H,1-2H3,(H,14,15)
InChIKeyLGAWWKSKBZDZDC-UHFFFAOYSA-N
XLogP1.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2,3-difluorobenzoic acid
CID 79838478
2,3-difluoro-4-(2-methoxyethylamino)benzoic acid
CID 79837878
4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid
CID 79834906
2,3-difluoro-4-(2,3,3-trimethylbutylamino)benzoic acid
CID 83144082
2,3-difluoro-4-(4-hydroxybutan-2-ylamino)benzoic acid
CID 83187633
4-[(2-ethyl-2-hydroxybutyl)amino]-2,3-difluorobenzoic acid
CID 79840871
2,3-difluoro-4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]benzoic acid
CID 79834887
2,3-difluoro-4-[[2-methyl-3-(methylamino)propyl]amino]benzoic acid
CID 113282671
2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 79834697
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2,3-difluorobenzoic acid
CID 106278422
4-(dicyclopropylmethylamino)-2,3-difluorobenzoic acid
CID 79837425
4-[(3-amino-3-oxopropyl)amino]-2,3-difluorobenzoic acid
CID 79837698

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid?
The IUPAC name of 4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid (CID 83026505) is 4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid.
What is the SMILES notation for 4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid?
The canonical SMILES for 4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid is CN(C)Nc1ccc(C(=O)O)c(F)c1F.
What is the InChIKey of 4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid?
The InChIKey is LGAWWKSKBZDZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-13(2)12-6-4-3-5(9(14)15)7(10)8(6)11/h3-4,12H,1-2H3,(H,14,15).
What are the key properties of 4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid?
4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid has a molecular weight of 216.19 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylhydrazinyl)-2,3-difluorobenzoic acid is sourced from PubChem (CID 83026505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).