N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide

C8H12F3NO2 — CID 146094363

IUPACN-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CC(O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-3-7(14)12(4-2)5-6(13)8(9,10)11/h3,6,13H,1,4-5H2,2H3
InChIKeyHMURNXKIAPZNEH-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.94
Rot. Bonds4

About N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide

N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide (PubChem CID 146094363) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
PubChem CID146094363
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC NameN-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CC(O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-3-7(14)12(4-2)5-6(13)8(9,10)11/h3,6,13H,1,4-5H2,2H3
InChIKeyHMURNXKIAPZNEH-UHFFFAOYSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.94
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-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide (CID 146094363) is N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide is C=CC(=O)N(CC)CC(O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
The InChIKey is HMURNXKIAPZNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-3-7(14)12(4-2)5-6(13)8(9,10)11/h3,6,13H,1,4-5H2,2H3.
What are the key properties of N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide?
N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide has a molecular weight of 211.18 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 146094363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).