2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide

C13H14F3NO2 — CID 89232385

IUPAC2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(F)(F)F)C(C)c1ccccc1O
InChIInChI=1S/C13H14F3NO2/c1-3-8-17(12(19)13(14,15)16)9(2)10-6-4-5-7-11(10)18/h3-7,9,18H,1,8H2,2H3
InChIKeySZLNDTYPTGCQMS-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.03
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide

2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide (PubChem CID 89232385) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide
PubChem CID89232385
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(F)(F)F)C(C)c1ccccc1O
InChIInChI=1S/C13H14F3NO2/c1-3-8-17(12(19)13(14,15)16)9(2)10-6-4-5-7-11(10)18/h3-7,9,18H,1,8H2,2H3
InChIKeySZLNDTYPTGCQMS-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide (CID 89232385) is 2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide is C=CCN(C(=O)C(F)(F)F)C(C)c1ccccc1O.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide?
The InChIKey is SZLNDTYPTGCQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-3-8-17(12(19)13(14,15)16)9(2)10-6-4-5-7-11(10)18/h3-7,9,18H,1,8H2,2H3.
What are the key properties of 2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide?
2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide has a molecular weight of 273.25 g/mol, XLogP of 3.03, 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-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 89232385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).