2,4-difluoro-3-methanehydrazonoylphenol

C7H6F2N2O — CID 168531641

IUPAC2,4-difluoro-3-methanehydrazonoylphenol
SMILESNN=Cc1c(F)ccc(O)c1F
InChIInChI=1S/C7H6F2N2O/c8-5-1-2-6(12)7(9)4(5)3-11-10/h1-3,12H,10H2
InChIKeySABDEHMDCNWYPQ-UHFFFAOYSA-N
MW172.13 g/mol
LogP0.96
Rot. Bonds1

About 2,4-difluoro-3-methanehydrazonoylphenol

2,4-difluoro-3-methanehydrazonoylphenol (PubChem CID 168531641) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is 2,4-difluoro-3-methanehydrazonoylphenol.

Molecular Properties

Compound Name2,4-difluoro-3-methanehydrazonoylphenol
PubChem CID168531641
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC Name2,4-difluoro-3-methanehydrazonoylphenol
SMILESNN=Cc1c(F)ccc(O)c1F
InChIInChI=1S/C7H6F2N2O/c8-5-1-2-6(12)7(9)4(5)3-11-10/h1-3,12H,10H2
InChIKeySABDEHMDCNWYPQ-UHFFFAOYSA-N
XLogP0.96
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2,4-difluoro-3-methanehydrazonoylphenol?
The IUPAC name of 2,4-difluoro-3-methanehydrazonoylphenol (CID 168531641) is 2,4-difluoro-3-methanehydrazonoylphenol.
What is the SMILES notation for 2,4-difluoro-3-methanehydrazonoylphenol?
The canonical SMILES for 2,4-difluoro-3-methanehydrazonoylphenol is NN=Cc1c(F)ccc(O)c1F.
What is the InChIKey of 2,4-difluoro-3-methanehydrazonoylphenol?
The InChIKey is SABDEHMDCNWYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c8-5-1-2-6(12)7(9)4(5)3-11-10/h1-3,12H,10H2.
What are the key properties of 2,4-difluoro-3-methanehydrazonoylphenol?
2,4-difluoro-3-methanehydrazonoylphenol has a molecular weight of 172.13 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-methanehydrazonoylphenol is sourced from PubChem (CID 168531641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).