3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide

C12H10F2N2O3 — CID 55213812

IUPAC3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1COc1cccc(F)c1F
InChIInChI=1S/C12H10F2N2O3/c13-8-2-1-3-9(10(8)14)19-6-7-4-5-18-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyHPYHFWOBZLZYMT-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.74
Rot. Bonds4

About 3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide

3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 55213812) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide
PubChem CID55213812
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1COc1cccc(F)c1F
InChIInChI=1S/C12H10F2N2O3/c13-8-2-1-3-9(10(8)14)19-6-7-4-5-18-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyHPYHFWOBZLZYMT-UHFFFAOYSA-N
XLogP1.74
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide (CID 55213812) is 3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide is NNC(=O)c1occc1COc1cccc(F)c1F.
What is the InChIKey of 3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is HPYHFWOBZLZYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c13-8-2-1-3-9(10(8)14)19-6-7-4-5-18-11(7)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide?
3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 268.22 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 55213812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).