2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H15ClF3NO — CID 60949696

IUPAC2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C13H15ClF3NO/c1-9(2)18(8-13(15,16)17)12(19)11(14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyULAYPOAIIALMBH-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.77
Rot. Bonds4

About 2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60949696) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60949696
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C13H15ClF3NO/c1-9(2)18(8-13(15,16)17)12(19)11(14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyULAYPOAIIALMBH-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.77
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-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 60949696) is 2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ULAYPOAIIALMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-9(2)18(8-13(15,16)17)12(19)11(14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of 2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.72 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-phenyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60949696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).