2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide

C11H12F3NO — CID 91703146

IUPAC2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO/c1-10(2,8-6-4-3-5-7-8)15-9(16)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyZVTLXQDXKNLBHN-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.60
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide

2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide (PubChem CID 91703146) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide
PubChem CID91703146
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO/c1-10(2,8-6-4-3-5-7-8)15-9(16)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyZVTLXQDXKNLBHN-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide (CID 91703146) is 2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide is CC(C)(NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide?
The InChIKey is ZVTLXQDXKNLBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-10(2,8-6-4-3-5-7-8)15-9(16)11(12,13)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide?
2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide has a molecular weight of 231.22 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 91703146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).