2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride

C10H9ClF3NO — CID 139228952

IUPAC2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride
SMILESCC(O)c1ccccc1/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c1-6(16)7-4-2-3-5-8(7)15-9(11)10(12,13)14/h2-6,16H,1H3/b15-9-
InChIKeyXSWYCXGYLRGIED-DHDCSXOGSA-N
MW251.64 g/mol
LogP3.57
Rot. Bonds2

About 2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride

2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride (PubChem CID 139228952) has the molecular formula C10H9ClF3NO and a molecular weight of 251.64 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride
PubChem CID139228952
Molecular FormulaC10H9ClF3NO
Molecular Weight251.64 g/mol
Exact Mass251.03
IUPAC Name2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride
SMILESCC(O)c1ccccc1/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c1-6(16)7-4-2-3-5-8(7)15-9(11)10(12,13)14/h2-6,16H,1H3/b15-9-
InChIKeyXSWYCXGYLRGIED-DHDCSXOGSA-N
XLogP3.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 53.57
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-(1-hydroxyethyl)phenyl]ethanimidoyl chloride?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride (CID 139228952) is 2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride is CC(O)c1ccccc1/N=C(\Cl)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride?
The InChIKey is XSWYCXGYLRGIED-DHDCSXOGSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-6(16)7-4-2-3-5-8(7)15-9(11)10(12,13)14/h2-6,16H,1H3/b15-9-.
What are the key properties of 2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride?
2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride has a molecular weight of 251.64 g/mol, XLogP of 3.57, 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-(1-hydroxyethyl)phenyl]ethanimidoyl chloride is sourced from PubChem (CID 139228952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).