1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid

C7H11FN2O5S — CID 175006593

IUPAC1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid
SMILESCOc1ccc(NNF)cc1.O=S(=O)(O)O
InChIInChI=1S/C7H9FN2O.H2O4S/c1-11-7-4-2-6(3-5-7)9-10-8;1-5(2,3)4/h2-5,9-10H,1H3;(H2,1,2,3,4)
InChIKeyWYIQKXZORSBFFI-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.84
Rot. Bonds3

About 1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid

1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid (PubChem CID 175006593) has the molecular formula C7H11FN2O5S and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid.

Molecular Properties

Compound Name1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid
PubChem CID175006593
Molecular FormulaC7H11FN2O5S
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid
SMILESCOc1ccc(NNF)cc1.O=S(=O)(O)O
InChIInChI=1S/C7H9FN2O.H2O4S/c1-11-7-4-2-6(3-5-7)9-10-8;1-5(2,3)4/h2-5,9-10H,1H3;(H2,1,2,3,4)
InChIKeyWYIQKXZORSBFFI-UHFFFAOYSA-N
XLogP0.84
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid?
The IUPAC name of 1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid (CID 175006593) is 1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid.
What is the SMILES notation for 1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid?
The canonical SMILES for 1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid is COc1ccc(NNF)cc1.O=S(=O)(O)O.
What is the InChIKey of 1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid?
The InChIKey is WYIQKXZORSBFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O.H2O4S/c1-11-7-4-2-6(3-5-7)9-10-8;1-5(2,3)4/h2-5,9-10H,1H3;(H2,1,2,3,4).
What are the key properties of 1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid?
1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid has a molecular weight of 254.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(4-methoxyphenyl)hydrazine;sulfuric acid is sourced from PubChem (CID 175006593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).