2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide

C11H12F3NO — CID 568991

IUPAC2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-15(10(16)11(12,13)14)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyORLRAYYXFGHBJH-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.25
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide

2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide (PubChem CID 568991) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide
PubChem CID568991
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-15(10(16)11(12,13)14)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyORLRAYYXFGHBJH-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide (CID 568991) is 2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide is CN(CCc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide?
The InChIKey is ORLRAYYXFGHBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-15(10(16)11(12,13)14)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide has a molecular weight of 231.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 568991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).