2,2,2-trifluoro-N-(2-phenylpropyl)acetamide

C11H12F3NO — CID 12507573

IUPAC2,2,2-trifluoro-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO/c1-8(9-5-3-2-4-6-9)7-15-10(16)11(12,13)14/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyQISHMKYRWVNKTD-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.47
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-phenylpropyl)acetamide

2,2,2-trifluoro-N-(2-phenylpropyl)acetamide (PubChem CID 12507573) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-phenylpropyl)acetamide
PubChem CID12507573
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2,2,2-trifluoro-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO/c1-8(9-5-3-2-4-6-9)7-15-10(16)11(12,13)14/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyQISHMKYRWVNKTD-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.47
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-phenylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-phenylpropyl)acetamide (CID 12507573) is 2,2,2-trifluoro-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-phenylpropyl)acetamide is CC(CNC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-phenylpropyl)acetamide?
The InChIKey is QISHMKYRWVNKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-8(9-5-3-2-4-6-9)7-15-10(16)11(12,13)14/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(2-phenylpropyl)acetamide?
2,2,2-trifluoro-N-(2-phenylpropyl)acetamide has a molecular weight of 231.22 g/mol, XLogP of 2.47, 3 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-phenylpropyl)acetamide is sourced from PubChem (CID 12507573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).