N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide

C7H10F3NO2 — CID 63827877

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-6(12)11-3-4-13-5-7(8,9)10/h2H,1,3-5H2,(H,11,12)
InChIKeyVJDAYXWPJDGGLH-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.87
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide

N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide (PubChem CID 63827877) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide
PubChem CID63827877
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-6(12)11-3-4-13-5-7(8,9)10/h2H,1,3-5H2,(H,11,12)
InChIKeyVJDAYXWPJDGGLH-UHFFFAOYSA-N
XLogP0.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide (CID 63827877) is N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide is C=CC(=O)NCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide?
The InChIKey is VJDAYXWPJDGGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-2-6(12)11-3-4-13-5-7(8,9)10/h2H,1,3-5H2,(H,11,12).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide has a molecular weight of 197.16 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 63827877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).