4-fluoro-3-iodobut-2-enehydrazide

C4H6FIN2O — CID 87653913

IUPAC4-fluoro-3-iodobut-2-enehydrazide
SMILESNNC(=O)C=C(I)CF
InChIInChI=1S/C4H6FIN2O/c5-2-3(6)1-4(9)8-7/h1H,2,7H2,(H,8,9)
InChIKeyOOTZIPKYSOFGKU-UHFFFAOYSA-N
MW244.01 g/mol
LogP0.26
Rot. Bonds2

About 4-fluoro-3-iodobut-2-enehydrazide

4-fluoro-3-iodobut-2-enehydrazide (PubChem CID 87653913) has the molecular formula C4H6FIN2O and a molecular weight of 244.01 g/mol. Its IUPAC name is 4-fluoro-3-iodobut-2-enehydrazide.

Molecular Properties

Compound Name4-fluoro-3-iodobut-2-enehydrazide
PubChem CID87653913
Molecular FormulaC4H6FIN2O
Molecular Weight244.01 g/mol
Exact Mass243.95
IUPAC Name4-fluoro-3-iodobut-2-enehydrazide
SMILESNNC(=O)C=C(I)CF
InChIInChI=1S/C4H6FIN2O/c5-2-3(6)1-4(9)8-7/h1H,2,7H2,(H,8,9)
InChIKeyOOTZIPKYSOFGKU-UHFFFAOYSA-N
XLogP0.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.01
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-iodobut-2-enehydrazide?
The IUPAC name of 4-fluoro-3-iodobut-2-enehydrazide (CID 87653913) is 4-fluoro-3-iodobut-2-enehydrazide.
What is the SMILES notation for 4-fluoro-3-iodobut-2-enehydrazide?
The canonical SMILES for 4-fluoro-3-iodobut-2-enehydrazide is NNC(=O)C=C(I)CF.
What is the InChIKey of 4-fluoro-3-iodobut-2-enehydrazide?
The InChIKey is OOTZIPKYSOFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FIN2O/c5-2-3(6)1-4(9)8-7/h1H,2,7H2,(H,8,9).
What are the key properties of 4-fluoro-3-iodobut-2-enehydrazide?
4-fluoro-3-iodobut-2-enehydrazide has a molecular weight of 244.01 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-iodobut-2-enehydrazide is sourced from PubChem (CID 87653913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).