2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide

C8H12F3NO2 — CID 103340510

IUPAC2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-3-4-12(5-6-14-2)7(13)8(9,10)11/h3H,1,4-6H2,2H3
InChIKeyUKFAEYDNDSYCOG-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.21
Rot. Bonds5

About 2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide

2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide (PubChem CID 103340510) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
PubChem CID103340510
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-3-4-12(5-6-14-2)7(13)8(9,10)11/h3H,1,4-6H2,2H3
InChIKeyUKFAEYDNDSYCOG-UHFFFAOYSA-N
XLogP1.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.21
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-(2-methoxyethyl)-N-prop-2-enylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide (CID 103340510) is 2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide is C=CCN(CCOC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The InChIKey is UKFAEYDNDSYCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-3-4-12(5-6-14-2)7(13)8(9,10)11/h3H,1,4-6H2,2H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
2,2,2-trifluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide has a molecular weight of 211.18 g/mol, XLogP of 1.21, 5 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-(2-methoxyethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 103340510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).