N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide

C7H6F2N2O — CID 20763258

IUPACN'-(2,4-difluorophenyl)-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(F)cc1F
InChIInChI=1S/C7H6F2N2O/c8-5-1-2-7(6(9)3-5)10-4-11-12/h1-4,12H,(H,10,11)
InChIKeyHUKLKDULPFSUTN-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.60
Rot. Bonds2

About N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide

N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide (PubChem CID 20763258) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-hydroxymethanimidamide
PubChem CID20763258
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC NameN'-(2,4-difluorophenyl)-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(F)cc1F
InChIInChI=1S/C7H6F2N2O/c8-5-1-2-7(6(9)3-5)10-4-11-12/h1-4,12H,(H,10,11)
InChIKeyHUKLKDULPFSUTN-UHFFFAOYSA-N
XLogP1.60
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide (CID 20763258) is N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide is ON/C=N/c1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide?
The InChIKey is HUKLKDULPFSUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c8-5-1-2-7(6(9)3-5)10-4-11-12/h1-4,12H,(H,10,11).
What are the key properties of N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide?
N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide has a molecular weight of 172.13 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 20763258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).