2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide

C11H11ClF3NO — CID 60892329

IUPAC2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C11H11ClF3NO/c1-16(7-11(13,14)15)10(17)9(12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyAGVMNNODAMDATD-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.99
Rot. Bonds3

About 2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide

2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60892329) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is 2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60892329
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C11H11ClF3NO/c1-16(7-11(13,14)15)10(17)9(12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyAGVMNNODAMDATD-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide (CID 60892329) is 2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AGVMNNODAMDATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-16(7-11(13,14)15)10(17)9(12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of 2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.66 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60892329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).