2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide

C12H12F3NO2 — CID 91684287

IUPAC2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cccc(N(C)C(=O)C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c1-3-7-18-10-6-4-5-9(8-10)16(2)11(17)12(13,14)15/h3-6,8H,1,7H2,2H3
InChIKeyOLMAVOQFEJXONX-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.78
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide

2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide (PubChem CID 91684287) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide
PubChem CID91684287
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cccc(N(C)C(=O)C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO2/c1-3-7-18-10-6-4-5-9(8-10)16(2)11(17)12(13,14)15/h3-6,8H,1,7H2,2H3
InChIKeyOLMAVOQFEJXONX-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide (CID 91684287) is 2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide is C=CCOc1cccc(N(C)C(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide?
The InChIKey is OLMAVOQFEJXONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-3-7-18-10-6-4-5-9(8-10)16(2)11(17)12(13,14)15/h3-6,8H,1,7H2,2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide has a molecular weight of 259.23 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(3-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 91684287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).