2-(4-fluorophenyl)-2-hydrazinylacetic acid

C8H9FN2O2 — CID 82125359

IUPAC2-(4-fluorophenyl)-2-hydrazinylacetic acid
SMILESNNC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C8H9FN2O2/c9-6-3-1-5(2-4-6)7(11-10)8(12)13/h1-4,7,11H,10H2,(H,12,13)
InChIKeyAHWBFEWFKQTJHP-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.41
Rot. Bonds3

About 2-(4-fluorophenyl)-2-hydrazinylacetic acid

2-(4-fluorophenyl)-2-hydrazinylacetic acid (PubChem CID 82125359) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-hydrazinylacetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-hydrazinylacetic acid
PubChem CID82125359
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-(4-fluorophenyl)-2-hydrazinylacetic acid
SMILESNNC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C8H9FN2O2/c9-6-3-1-5(2-4-6)7(11-10)8(12)13/h1-4,7,11H,10H2,(H,12,13)
InChIKeyAHWBFEWFKQTJHP-UHFFFAOYSA-N
XLogP0.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylamino)phenyl]-2-hydrazinylacetic acid
CID 82126690
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid
CID 61002227
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate
CID 161223884
2-(4-fluoroanilino)-2-(4-methylsulfanylphenyl)acetic acid
CID 60991973
2,3-dibromo-3-(4-fluorophenyl)propanoic acid
CID 122714820

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-hydrazinylacetic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-hydrazinylacetic acid (CID 82125359) is 2-(4-fluorophenyl)-2-hydrazinylacetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-hydrazinylacetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-hydrazinylacetic acid is NNC(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-hydrazinylacetic acid?
The InChIKey is AHWBFEWFKQTJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-6-3-1-5(2-4-6)7(11-10)8(12)13/h1-4,7,11H,10H2,(H,12,13).
What are the key properties of 2-(4-fluorophenyl)-2-hydrazinylacetic acid?
2-(4-fluorophenyl)-2-hydrazinylacetic acid has a molecular weight of 184.17 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-hydrazinylacetic acid is sourced from PubChem (CID 82125359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).