2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide

C9H11FN2O — CID 10736195

IUPAC2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide
SMILESN/C(CF)=N/c1cccc(CO)c1
InChIInChI=1S/C9H11FN2O/c10-5-9(11)12-8-3-1-2-7(4-8)6-13/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyPPQWWAOFZKVUOS-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.14
Rot. Bonds3

About 2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide

2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide (PubChem CID 10736195) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide
PubChem CID10736195
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide
SMILESN/C(CF)=N/c1cccc(CO)c1
InChIInChI=1S/C9H11FN2O/c10-5-9(11)12-8-3-1-2-7(4-8)6-13/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyPPQWWAOFZKVUOS-UHFFFAOYSA-N
XLogP1.14
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide?
The IUPAC name of 2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide (CID 10736195) is 2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide is N/C(CF)=N/c1cccc(CO)c1.
What is the InChIKey of 2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide?
The InChIKey is PPQWWAOFZKVUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-5-9(11)12-8-3-1-2-7(4-8)6-13/h1-4,13H,5-6H2,(H2,11,12).
What are the key properties of 2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide?
2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide has a molecular weight of 182.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[3-(hydroxymethyl)phenyl]ethanimidamide is sourced from PubChem (CID 10736195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).