5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide

C12H8F4N2O3 — CID 7020953

IUPAC5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C12H8F4N2O3/c13-6-3-7(14)10(16)11(9(6)15)20-4-5-1-2-8(21-5)12(19)18-17/h1-3H,4,17H2,(H,18,19)
InChIKeyRYJQRYFCAXSIIA-UHFFFAOYSA-N
MW304.20 g/mol
LogP2.02
Rot. Bonds4

About 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide

5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 7020953) has the molecular formula C12H8F4N2O3 and a molecular weight of 304.20 g/mol. Its IUPAC name is 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide
PubChem CID7020953
Molecular FormulaC12H8F4N2O3
Molecular Weight304.20 g/mol
Exact Mass304.05
IUPAC Name5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C12H8F4N2O3/c13-6-3-7(14)10(16)11(9(6)15)20-4-5-1-2-8(21-5)12(19)18-17/h1-3H,4,17H2,(H,18,19)
InChIKeyRYJQRYFCAXSIIA-UHFFFAOYSA-N
XLogP2.02
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide (CID 7020953) is 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1.
What is the InChIKey of 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is RYJQRYFCAXSIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O3/c13-6-3-7(14)10(16)11(9(6)15)20-4-5-1-2-8(21-5)12(19)18-17/h1-3H,4,17H2,(H,18,19).
What are the key properties of 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide?
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 304.20 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 7020953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).