5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide

C13H11FN2O4 — CID 107693712

IUPAC5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2ccc(C=O)cc2F)c1
InChIInChI=1S/C13H11FN2O4/c14-11-3-8(5-17)1-2-12(11)20-7-10-4-9(6-19-10)13(18)16-15/h1-6H,7,15H2,(H,16,18)
InChIKeyLMSZMVLKSZMNRS-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.41
Rot. Bonds5

About 5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide

5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide (PubChem CID 107693712) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide
PubChem CID107693712
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2ccc(C=O)cc2F)c1
InChIInChI=1S/C13H11FN2O4/c14-11-3-8(5-17)1-2-12(11)20-7-10-4-9(6-19-10)13(18)16-15/h1-6H,7,15H2,(H,16,18)
InChIKeyLMSZMVLKSZMNRS-UHFFFAOYSA-N
XLogP1.41
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-fluoro-4-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63571230
4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
CID 107693710
5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 107693729
5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide
CID 107101927
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
CID 103290412
5-[(3-bromo-4-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 83234772
5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107171042
5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575027
5-[(5-chloro-2-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63569482
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide
CID 63575736
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide (CID 107693712) is 5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide is NNC(=O)c1coc(COc2ccc(C=O)cc2F)c1.
What is the InChIKey of 5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is LMSZMVLKSZMNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c14-11-3-8(5-17)1-2-12(11)20-7-10-4-9(6-19-10)13(18)16-15/h1-6H,7,15H2,(H,16,18).
What are the key properties of 5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide?
5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 278.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 107693712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).