1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid

C8H6F4N2O4 — CID 174887375

IUPAC1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid
SMILESFNNc1cc(F)cc(F)c1F.O=C(O)C(=O)O
InChIInChI=1S/C6H4F4N2.C2H2O4/c7-3-1-4(8)6(9)5(2-3)11-12-10;3-1(4)2(5)6/h1-2,11-12H;(H,3,4)(H,5,6)
InChIKeyQZTIIEYURPDGFZ-UHFFFAOYSA-N
MW270.14 g/mol
LogP1.06
Rot. Bonds2

About 1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid

1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid (PubChem CID 174887375) has the molecular formula C8H6F4N2O4 and a molecular weight of 270.14 g/mol. Its IUPAC name is 1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid.

Molecular Properties

Compound Name1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid
PubChem CID174887375
Molecular FormulaC8H6F4N2O4
Molecular Weight270.14 g/mol
Exact Mass270.03
IUPAC Name1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid
SMILESFNNc1cc(F)cc(F)c1F.O=C(O)C(=O)O
InChIInChI=1S/C6H4F4N2.C2H2O4/c7-3-1-4(8)6(9)5(2-3)11-12-10;3-1(4)2(5)6/h1-2,11-12H;(H,3,4)(H,5,6)
InChIKeyQZTIIEYURPDGFZ-UHFFFAOYSA-N
XLogP1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-(3,5-difluorophenyl)-2-fluorohydrazine;oxalic acid
CID 174886791
(Z)-2-methyl-4-(2,3,5-trifluoroanilino)but-2-enoic acid
CID 103249627
2-(2,3,5-trifluoroanilino)benzoic acid
CID 62813738
3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid
CID 63538858
2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid
CID 62810259
3-(2,3,5-trifluoroanilino)butanoic acid
CID 62810258
2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid
CID 103249643
phenyl N-(2,3,5-trifluorophenyl)carbamate
CID 64592474
3,5-dihydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 107703907
2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide
CID 107028637
3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide
CID 107028642
(2R)-2-[(2,3,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 107566861

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid?
The IUPAC name of 1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid (CID 174887375) is 1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid.
What is the SMILES notation for 1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid?
The canonical SMILES for 1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid is FNNc1cc(F)cc(F)c1F.O=C(O)C(=O)O.
What is the InChIKey of 1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid?
The InChIKey is QZTIIEYURPDGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2.C2H2O4/c7-3-1-4(8)6(9)5(2-3)11-12-10;3-1(4)2(5)6/h1-2,11-12H;(H,3,4)(H,5,6).
What are the key properties of 1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid?
1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid has a molecular weight of 270.14 g/mol, XLogP of 1.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid is sourced from PubChem (CID 174887375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).