5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide

C13H17FN2O3 — CID 63937604

IUPAC5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COCc2ccccc2F)O1
InChIInChI=1S/C13H17FN2O3/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-12(19-10)13(17)16-15/h1-4,10,12H,5-8,15H2,(H,16,17)
InChIKeyZZZHAZNESBQJPM-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.88
Rot. Bonds5

About 5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide

5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide (PubChem CID 63937604) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
PubChem CID63937604
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COCc2ccccc2F)O1
InChIInChI=1S/C13H17FN2O3/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-12(19-10)13(17)16-15/h1-4,10,12H,5-8,15H2,(H,16,17)
InChIKeyZZZHAZNESBQJPM-UHFFFAOYSA-N
XLogP0.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide (CID 63937604) is 5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(COCc2ccccc2F)O1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide?
The InChIKey is ZZZHAZNESBQJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-12(19-10)13(17)16-15/h1-4,10,12H,5-8,15H2,(H,16,17).
What are the key properties of 5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide?
5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide has a molecular weight of 268.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63937604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).