2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide

C9H11FN2O — CID 70234716

IUPAC2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(F)c(CO)c1
InChIInChI=1S/C9H11FN2O/c10-8-2-1-6(4-9(11)12)3-7(8)5-13/h1-3,13H,4-5H2,(H3,11,12)
InChIKeyBZLIOSUDTCJSTK-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.80
Rot. Bonds3

About 2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide

2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide (PubChem CID 70234716) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide
PubChem CID70234716
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(F)c(CO)c1
InChIInChI=1S/C9H11FN2O/c10-8-2-1-6(4-9(11)12)3-7(8)5-13/h1-3,13H,4-5H2,(H3,11,12)
InChIKeyBZLIOSUDTCJSTK-UHFFFAOYSA-N
XLogP0.80
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.80
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide?
The IUPAC name of 2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide (CID 70234716) is 2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(F)c(CO)c1.
What is the InChIKey of 2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide?
The InChIKey is BZLIOSUDTCJSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-8-2-1-6(4-9(11)12)3-7(8)5-13/h1-3,13H,4-5H2,(H3,11,12).
What are the key properties of 2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide?
2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide has a molecular weight of 182.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(hydroxymethyl)phenyl]ethanimidamide is sourced from PubChem (CID 70234716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).