3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide

C13H13FN2O3 — CID 63937801

IUPAC3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1COCc1ccccc1F
InChIInChI=1S/C13H13FN2O3/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-19-12(10)13(17)16-15/h1-6H,7-8,15H2,(H,16,17)
InChIKeyVJTKDKAODXZIRH-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.74
Rot. Bonds5

About 3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide

3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide (PubChem CID 63937801) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide
PubChem CID63937801
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1COCc1ccccc1F
InChIInChI=1S/C13H13FN2O3/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-19-12(10)13(17)16-15/h1-6H,7-8,15H2,(H,16,17)
InChIKeyVJTKDKAODXZIRH-UHFFFAOYSA-N
XLogP1.74
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
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3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide
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3-[(3-fluorophenoxy)methyl]furan-2-carbohydrazide
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3-(propan-2-yloxymethyl)furan-2-carbohydrazide
CID 63576965
3-(2-cyclobutylethoxymethyl)furan-2-carbohydrazide
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3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide
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3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide
CID 103490879
3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
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2-[(2-fluorophenyl)methoxymethyl]furan
CID 70570025

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide (CID 63937801) is 3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide is NNC(=O)c1occc1COCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide?
The InChIKey is VJTKDKAODXZIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-19-12(10)13(17)16-15/h1-6H,7-8,15H2,(H,16,17).
What are the key properties of 3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide?
3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide has a molecular weight of 264.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide is sourced from PubChem (CID 63937801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).