2-ethanehydrazonoyl-3,5-difluorophenol

C8H8F2N2O — CID 137265692

IUPAC2-ethanehydrazonoyl-3,5-difluorophenol
SMILESC/C(=N\N)c1c(O)cc(F)cc1F
InChIInChI=1S/C8H8F2N2O/c1-4(12-11)8-6(10)2-5(9)3-7(8)13/h2-3,13H,11H2,1H3/b12-4+
InChIKeyDNNRLZHUHWNJEQ-UUILKARUSA-N
MW186.16 g/mol
LogP1.35
Rot. Bonds1

About 2-ethanehydrazonoyl-3,5-difluorophenol

2-ethanehydrazonoyl-3,5-difluorophenol (PubChem CID 137265692) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-ethanehydrazonoyl-3,5-difluorophenol.

Molecular Properties

Compound Name2-ethanehydrazonoyl-3,5-difluorophenol
PubChem CID137265692
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name2-ethanehydrazonoyl-3,5-difluorophenol
SMILESC/C(=N\N)c1c(O)cc(F)cc1F
InChIInChI=1S/C8H8F2N2O/c1-4(12-11)8-6(10)2-5(9)3-7(8)13/h2-3,13H,11H2,1H3/b12-4+
InChIKeyDNNRLZHUHWNJEQ-UUILKARUSA-N
XLogP1.35
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2-ethanehydrazonoyl-3,5-difluorophenol?
The IUPAC name of 2-ethanehydrazonoyl-3,5-difluorophenol (CID 137265692) is 2-ethanehydrazonoyl-3,5-difluorophenol.
What is the SMILES notation for 2-ethanehydrazonoyl-3,5-difluorophenol?
The canonical SMILES for 2-ethanehydrazonoyl-3,5-difluorophenol is C/C(=N\N)c1c(O)cc(F)cc1F.
What is the InChIKey of 2-ethanehydrazonoyl-3,5-difluorophenol?
The InChIKey is DNNRLZHUHWNJEQ-UUILKARUSA-N. The full InChI is InChI=1S/C8H8F2N2O/c1-4(12-11)8-6(10)2-5(9)3-7(8)13/h2-3,13H,11H2,1H3/b12-4+.
What are the key properties of 2-ethanehydrazonoyl-3,5-difluorophenol?
2-ethanehydrazonoyl-3,5-difluorophenol has a molecular weight of 186.16 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanehydrazonoyl-3,5-difluorophenol is sourced from PubChem (CID 137265692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).