2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride

C9H8ClF2NO — CID 139228936

IUPAC2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride
SMILESOCc1ccccc1/N=C(\Cl)C(F)F
InChIInChI=1S/C9H8ClF2NO/c10-8(9(11)12)13-7-4-2-1-3-6(7)5-14/h1-4,9,14H,5H2/b13-8-
InChIKeyHGJVQWKMCPXQAA-JYRVWZFOSA-N
MW219.62 g/mol
LogP2.71
Rot. Bonds3

About 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride

2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride (PubChem CID 139228936) has the molecular formula C9H8ClF2NO and a molecular weight of 219.62 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride
PubChem CID139228936
Molecular FormulaC9H8ClF2NO
Molecular Weight219.62 g/mol
Exact Mass219.03
IUPAC Name2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride
SMILESOCc1ccccc1/N=C(\Cl)C(F)F
InChIInChI=1S/C9H8ClF2NO/c10-8(9(11)12)13-7-4-2-1-3-6(7)5-14/h1-4,9,14H,5H2/b13-8-
InChIKeyHGJVQWKMCPXQAA-JYRVWZFOSA-N
XLogP2.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
The IUPAC name of 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride (CID 139228936) is 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride.
What is the SMILES notation for 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
The canonical SMILES for 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride is OCc1ccccc1/N=C(\Cl)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
The InChIKey is HGJVQWKMCPXQAA-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H8ClF2NO/c10-8(9(11)12)13-7-4-2-1-3-6(7)5-14/h1-4,9,14H,5H2/b13-8-.
What are the key properties of 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride has a molecular weight of 219.62 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride is sourced from PubChem (CID 139228936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).