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

C9H7ClF3NO — CID 134860097

IUPAC2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride
SMILESOCc1ccccc1/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO/c10-8(9(11,12)13)14-7-4-2-1-3-6(7)5-15/h1-4,15H,5H2/b14-8-
InChIKeyBXEOTUNLRSPLMB-ZSOIEALJSA-N
MW237.61 g/mol
LogP3.01
Rot. Bonds2

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

2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride (PubChem CID 134860097) has the molecular formula C9H7ClF3NO and a molecular weight of 237.61 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride
PubChem CID134860097
Molecular FormulaC9H7ClF3NO
Molecular Weight237.61 g/mol
Exact Mass237.02
IUPAC Name2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride
SMILESOCc1ccccc1/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO/c10-8(9(11,12)13)14-7-4-2-1-3-6(7)5-15/h1-4,15H,5H2/b14-8-
InChIKeyBXEOTUNLRSPLMB-ZSOIEALJSA-N
XLogP3.01
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride (CID 134860097) is 2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride is OCc1ccccc1/N=C(\Cl)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
The InChIKey is BXEOTUNLRSPLMB-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H7ClF3NO/c10-8(9(11,12)13)14-7-4-2-1-3-6(7)5-15/h1-4,15H,5H2/b14-8-.
What are the key properties of 2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride has a molecular weight of 237.61 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride is sourced from PubChem (CID 134860097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).