1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid

C8H7F3N2O4 — CID 174886791

IUPAC1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid
SMILESFNNc1cc(F)cc(F)c1.O=C(O)C(=O)O
InChIInChI=1S/C6H5F3N2.C2H2O4/c7-4-1-5(8)3-6(2-4)10-11-9;3-1(4)2(5)6/h1-3,10-11H;(H,3,4)(H,5,6)
InChIKeyAOKLVBGEZUYWDY-UHFFFAOYSA-N
MW252.15 g/mol
LogP0.92
Rot. Bonds2

About 1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid

1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid (PubChem CID 174886791) has the molecular formula C8H7F3N2O4 and a molecular weight of 252.15 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid
PubChem CID174886791
Molecular FormulaC8H7F3N2O4
Molecular Weight252.15 g/mol
Exact Mass252.04
IUPAC Name1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid
SMILESFNNc1cc(F)cc(F)c1.O=C(O)C(=O)O
InChIInChI=1S/C6H5F3N2.C2H2O4/c7-4-1-5(8)3-6(2-4)10-11-9;3-1(4)2(5)6/h1-3,10-11H;(H,3,4)(H,5,6)
InChIKeyAOKLVBGEZUYWDY-UHFFFAOYSA-N
XLogP0.92
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid
CID 174887375
acetic acid;1,3,5-trifluorobenzene
CID 162178148
4-(3,5-difluoroanilino)butanoic acid
CID 18072381
N-(3,5-difluorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 43164108
3-amino-2-(3,5-difluoroanilino)propanoic acid
CID 130492143
2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid
CID 61189563
N-(3,5-difluorophenyl)-3-oxobutanamide
CID 18072687
N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114038120
2-bromo-N-(3,5-difluorophenyl)-2-methylpropanamide
CID 116816877
cis-(1S,2R)-2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100099
2-[4-(3,5-difluoroanilino)phenyl]acetic acid
CID 82535938
3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid
CID 61189395

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid?
The IUPAC name of 1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid (CID 174886791) is 1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid is FNNc1cc(F)cc(F)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid?
The InChIKey is AOKLVBGEZUYWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2.C2H2O4/c7-4-1-5(8)3-6(2-4)10-11-9;3-1(4)2(5)6/h1-3,10-11H;(H,3,4)(H,5,6).
What are the key properties of 1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid?
1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid has a molecular weight of 252.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid is sourced from PubChem (CID 174886791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).