2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride

C9H6ClF4NO — CID 139228939

IUPAC2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride
SMILESOCc1ccc(F)cc1/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C9H6ClF4NO/c10-8(9(12,13)14)15-7-3-6(11)2-1-5(7)4-16/h1-3,16H,4H2/b15-8-
InChIKeyLPLRMVIFGFCXAQ-NVNXTCNLSA-N
MW255.60 g/mol
LogP3.15
Rot. Bonds2

About 2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride

2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride (PubChem CID 139228939) has the molecular formula C9H6ClF4NO and a molecular weight of 255.60 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride
PubChem CID139228939
Molecular FormulaC9H6ClF4NO
Molecular Weight255.60 g/mol
Exact Mass255.01
IUPAC Name2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride
SMILESOCc1ccc(F)cc1/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C9H6ClF4NO/c10-8(9(12,13)14)15-7-3-6(11)2-1-5(7)4-16/h1-3,16H,4H2/b15-8-
InChIKeyLPLRMVIFGFCXAQ-NVNXTCNLSA-N
XLogP3.15
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.60
LogP ≤ 53.15
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-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride (CID 139228939) is 2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride is OCc1ccc(F)cc1/N=C(\Cl)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
The InChIKey is LPLRMVIFGFCXAQ-NVNXTCNLSA-N. The full InChI is InChI=1S/C9H6ClF4NO/c10-8(9(12,13)14)15-7-3-6(11)2-1-5(7)4-16/h1-3,16H,4H2/b15-8-.
What are the key properties of 2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride?
2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride has a molecular weight of 255.60 g/mol, XLogP of 3.15, 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-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride is sourced from PubChem (CID 139228939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).