2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride

C10H9ClF3NO2 — CID 139228942

IUPAC2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride
SMILESCOc1ccc(/N=C(\Cl)C(F)(F)F)c(CO)c1
InChIInChI=1S/C10H9ClF3NO2/c1-17-7-2-3-8(6(4-7)5-16)15-9(11)10(12,13)14/h2-4,16H,5H2,1H3/b15-9-
InChIKeyXTSWGQPPIVOCKC-DHDCSXOGSA-N
MW267.63 g/mol
LogP3.02
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride

2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride (PubChem CID 139228942) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride
PubChem CID139228942
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride
SMILESCOc1ccc(/N=C(\Cl)C(F)(F)F)c(CO)c1
InChIInChI=1S/C10H9ClF3NO2/c1-17-7-2-3-8(6(4-7)5-16)15-9(11)10(12,13)14/h2-4,16H,5H2,1H3/b15-9-
InChIKeyXTSWGQPPIVOCKC-DHDCSXOGSA-N
XLogP3.02
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-4-methoxyphenyl]ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride (CID 139228942) is 2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride is COc1ccc(/N=C(\Cl)C(F)(F)F)c(CO)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride?
The InChIKey is XTSWGQPPIVOCKC-DHDCSXOGSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-17-7-2-3-8(6(4-7)5-16)15-9(11)10(12,13)14/h2-4,16H,5H2,1H3/b15-9-.
What are the key properties of 2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride?
2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride has a molecular weight of 267.63 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride is sourced from PubChem (CID 139228942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).