4-(2,3-difluorophenoxy)butanehydrazide

C10H12F2N2O2 — CID 63568959

IUPAC4-(2,3-difluorophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1cccc(F)c1F
InChIInChI=1S/C10H12F2N2O2/c11-7-3-1-4-8(10(7)12)16-6-2-5-9(15)14-13/h1,3-4H,2,5-6,13H2,(H,14,15)
InChIKeyKLFGKAKZJIWCJI-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.11
Rot. Bonds5

About 4-(2,3-difluorophenoxy)butanehydrazide

4-(2,3-difluorophenoxy)butanehydrazide (PubChem CID 63568959) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)butanehydrazide
PubChem CID63568959
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name4-(2,3-difluorophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1cccc(F)c1F
InChIInChI=1S/C10H12F2N2O2/c11-7-3-1-4-8(10(7)12)16-6-2-5-9(15)14-13/h1,3-4H,2,5-6,13H2,(H,14,15)
InChIKeyKLFGKAKZJIWCJI-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-difluorophenoxy)pentanehydrazide
CID 63569509
4-(2,6-difluorophenoxy)butanehydrazide
CID 81268570
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005
4-[2-(2,3-difluorophenoxy)ethoxy]-4-oxobutanoic acid
CID 90124119
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 63038347
4-[2-(aminomethyl)-3-fluorophenoxy]-N-methylbutanamide
CID 63892441
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
5-(2-ethylphenoxy)pentanehydrazide
CID 63569442

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)butanehydrazide?
The IUPAC name of 4-(2,3-difluorophenoxy)butanehydrazide (CID 63568959) is 4-(2,3-difluorophenoxy)butanehydrazide.
What is the SMILES notation for 4-(2,3-difluorophenoxy)butanehydrazide?
The canonical SMILES for 4-(2,3-difluorophenoxy)butanehydrazide is NNC(=O)CCCOc1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenoxy)butanehydrazide?
The InChIKey is KLFGKAKZJIWCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c11-7-3-1-4-8(10(7)12)16-6-2-5-9(15)14-13/h1,3-4H,2,5-6,13H2,(H,14,15).
What are the key properties of 4-(2,3-difluorophenoxy)butanehydrazide?
4-(2,3-difluorophenoxy)butanehydrazide has a molecular weight of 230.21 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)butanehydrazide is sourced from PubChem (CID 63568959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).