N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide

C8H12F3NO2 — CID 107483360

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide
SMILESC=CCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-2-3-7(14)12(4-5-13)6-8(9,10)11/h2,13H,1,3-6H2
InChIKeyHYMQJMUDIDTOEC-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.95
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide (PubChem CID 107483360) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide
PubChem CID107483360
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide
SMILESC=CCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-2-3-7(14)12(4-5-13)6-8(9,10)11/h2,13H,1,3-6H2
InChIKeyHYMQJMUDIDTOEC-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
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 N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide (CID 107483360) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide is C=CCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide?
The InChIKey is HYMQJMUDIDTOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-2-3-7(14)12(4-5-13)6-8(9,10)11/h2,13H,1,3-6H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide has a molecular weight of 211.18 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-3-enamide is sourced from PubChem (CID 107483360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).