2-(3-fluoro-2-hydroxyphenyl)ethanimidamide

C8H9FN2O — CID 83676622

IUPAC2-(3-fluoro-2-hydroxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(F)c1O
InChIInChI=1S/C8H9FN2O/c9-6-3-1-2-5(8(6)12)4-7(10)11/h1-3,12H,4H2,(H3,10,11)
InChIKeyPXMNQXJHHSUISK-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.01
Rot. Bonds2

About 2-(3-fluoro-2-hydroxyphenyl)ethanimidamide

2-(3-fluoro-2-hydroxyphenyl)ethanimidamide (PubChem CID 83676622) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-(3-fluoro-2-hydroxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(3-fluoro-2-hydroxyphenyl)ethanimidamide
PubChem CID83676622
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name2-(3-fluoro-2-hydroxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(F)c1O
InChIInChI=1S/C8H9FN2O/c9-6-3-1-2-5(8(6)12)4-7(10)11/h1-3,12H,4H2,(H3,10,11)
InChIKeyPXMNQXJHHSUISK-UHFFFAOYSA-N
XLogP1.01
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(3-fluoro-2-hydroxyphenyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide
CID 83900141
2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide
CID 18955472
2-(bromomethyl)-6-fluorophenol
CID 86086661
2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanimidamide
CID 83676356
2-(4-aminobutyl)-6-fluorophenol
CID 117279586
2-(2-bromo-3-chlorophenyl)ethanimidamide
CID 141257602
3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide
CID 43658900
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride
CID 67100780
2-phenylethanimidamide
CID 27787
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
2-fluoro-6-(nitrosomethyl)phenol
CID 91467054

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-hydroxyphenyl)ethanimidamide?
The IUPAC name of 2-(3-fluoro-2-hydroxyphenyl)ethanimidamide (CID 83676622) is 2-(3-fluoro-2-hydroxyphenyl)ethanimidamide.
What is the SMILES notation for 2-(3-fluoro-2-hydroxyphenyl)ethanimidamide?
The canonical SMILES for 2-(3-fluoro-2-hydroxyphenyl)ethanimidamide is [H]/N=C(\N)Cc1cccc(F)c1O.
What is the InChIKey of 2-(3-fluoro-2-hydroxyphenyl)ethanimidamide?
The InChIKey is PXMNQXJHHSUISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-6-3-1-2-5(8(6)12)4-7(10)11/h1-3,12H,4H2,(H3,10,11).
What are the key properties of 2-(3-fluoro-2-hydroxyphenyl)ethanimidamide?
2-(3-fluoro-2-hydroxyphenyl)ethanimidamide has a molecular weight of 168.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-hydroxyphenyl)ethanimidamide is sourced from PubChem (CID 83676622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).