2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide

C11H12F3NO2 — CID 22292822

IUPAC2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-17-9-4-2-3-8(7-9)5-6-15-10(16)11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyJHEXQQMMXISZMO-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.92
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 22292822) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID22292822
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-17-9-4-2-3-8(7-9)5-6-15-10(16)11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyJHEXQQMMXISZMO-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 22292822) is 2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is JHEXQQMMXISZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-17-9-4-2-3-8(7-9)5-6-15-10(16)11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 247.22 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 22292822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).