2,2,2-trifluoro-N-(1-phenylethyl)acetamide

C10H10F3NO — CID 529470

IUPAC2,2,2-trifluoro-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H10F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h2-7H,1H3,(H,14,15)
InChIKeyZJFCMJDNHPXGBY-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.43
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-phenylethyl)acetamide

2,2,2-trifluoro-N-(1-phenylethyl)acetamide (PubChem CID 529470) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-phenylethyl)acetamide
PubChem CID529470
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2,2,2-trifluoro-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H10F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h2-7H,1H3,(H,14,15)
InChIKeyZJFCMJDNHPXGBY-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.43
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-(1-phenylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-phenylethyl)acetamide (CID 529470) is 2,2,2-trifluoro-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-phenylethyl)acetamide is CC(NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-phenylethyl)acetamide?
The InChIKey is ZJFCMJDNHPXGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h2-7H,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(1-phenylethyl)acetamide?
2,2,2-trifluoro-N-(1-phenylethyl)acetamide has a molecular weight of 217.19 g/mol, XLogP of 2.43, 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 529470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).