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

C7H11F2NO2 — CID 107479044

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H11F2NO2/c1-2-7(12)10(3-4-11)5-6(8)9/h2,6,11H,1,3-5H2
InChIKeyDSCIFQIGCRFJSY-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.26
Rot. Bonds5

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 107479044) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID107479044
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H11F2NO2/c1-2-7(12)10(3-4-11)5-6(8)9/h2,6,11H,1,3-5H2
InChIKeyDSCIFQIGCRFJSY-UHFFFAOYSA-N
XLogP0.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.26
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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide (CID 107479044) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide is C=CC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is DSCIFQIGCRFJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-2-7(12)10(3-4-11)5-6(8)9/h2,6,11H,1,3-5H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 179.17 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 107479044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).