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

C12H8F4N2O3 — CID 103290412

IUPAC5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H8F4N2O3/c13-7-2-8(14)10(16)11(9(7)15)21-4-6-1-5(3-20-6)12(19)18-17/h1-3H,4,17H2,(H,18,19)
InChIKeyNKQSROCVHXYABV-UHFFFAOYSA-N
MW304.20 g/mol
LogP2.02
Rot. Bonds4

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

5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide (PubChem CID 103290412) 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-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
PubChem CID103290412
Molecular FormulaC12H8F4N2O3
Molecular Weight304.20 g/mol
Exact Mass304.05
IUPAC Name5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H8F4N2O3/c13-7-2-8(14)10(16)11(9(7)15)21-4-6-1-5(3-20-6)12(19)18-17/h1-3H,4,17H2,(H,18,19)
InChIKeyNKQSROCVHXYABV-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'}

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Related Compounds

5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid
CID 103288827
5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide
CID 107101927
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
5-[(3-bromo-4-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 83234772
5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107171042
5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide
CID 107693712
5-[(2-fluoro-4-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63571230
5-(propan-2-yloxymethyl)furan-3-carbohydrazide
CID 63574391
5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide
CID 63576172
5-[(2-bromo-6-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 81496877
5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 107719018
5-(2-ethoxyethoxymethyl)furan-3-carbohydrazide
CID 63588537

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide (CID 103290412) is 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide is NNC(=O)c1coc(COc2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is NKQSROCVHXYABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O3/c13-7-2-8(14)10(16)11(9(7)15)21-4-6-1-5(3-20-6)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-3-carbohydrazide?
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-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-3-carbohydrazide is sourced from PubChem (CID 103290412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).