N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

C7H10F3NO2 — CID 60949628

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-6(13)11(3-4-12)5-7(8,9)10/h2,12H,1,3-5H2
InChIKeyIKPKNNWKZHAUBS-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.56
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 60949628) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID60949628
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-6(13)11(3-4-12)5-7(8,9)10/h2,12H,1,3-5H2
InChIKeyIKPKNNWKZHAUBS-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 60949628) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is C=CC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is IKPKNNWKZHAUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-2-6(13)11(3-4-12)5-7(8,9)10/h2,12H,1,3-5H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 197.16 g/mol, XLogP of 0.56, 4 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)prop-2-enamide is sourced from PubChem (CID 60949628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).