3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide

C14H11F3N2O2 — CID 107458205

IUPAC3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(COc2cccc(F)c2F)c1
InChIInChI=1S/C14H11F3N2O2/c15-10-5-4-8(14(20)19-18)6-9(10)7-21-12-3-1-2-11(16)13(12)17/h1-6H,7,18H2,(H,19,20)
InChIKeySTIKKINIWUEFNT-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.29
Rot. Bonds4

About 3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide

3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide (PubChem CID 107458205) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
PubChem CID107458205
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(COc2cccc(F)c2F)c1
InChIInChI=1S/C14H11F3N2O2/c15-10-5-4-8(14(20)19-18)6-9(10)7-21-12-3-1-2-11(16)13(12)17/h1-6H,7,18H2,(H,19,20)
InChIKeySTIKKINIWUEFNT-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide
CID 107458163
3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458149
4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 107458202
5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214004
4-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide
CID 107458270
3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide
CID 65101965
4-(2,3-difluorophenoxy)butanehydrazide
CID 63568959
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879019
4-fluoro-3-(heptoxymethyl)benzohydrazide
CID 107458143
5-(2,3-difluorophenoxy)pentanehydrazide
CID 63569509

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide (CID 107458205) is 3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide is NNC(=O)c1ccc(F)c(COc2cccc(F)c2F)c1.
What is the InChIKey of 3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide?
The InChIKey is STIKKINIWUEFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-10-5-4-8(14(20)19-18)6-9(10)7-21-12-3-1-2-11(16)13(12)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of 3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide?
3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide has a molecular weight of 296.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).