(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide

C7H10F3NO2 — CID 103755858

IUPAC(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-3-6(13)11-4-5(12)7(8,9)10/h2-3,5,12H,4H2,1H3,(H,11,13)/b3-2+
InChIKeyOVTDJBZAIBIOIG-NSCUHMNNSA-N
MW197.16 g/mol
LogP0.60
Rot. Bonds3

About (E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide

(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide (PubChem CID 103755858) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
PubChem CID103755858
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-3-6(13)11-4-5(12)7(8,9)10/h2-3,5,12H,4H2,1H3,(H,11,13)/b3-2+
InChIKeyOVTDJBZAIBIOIG-NSCUHMNNSA-N
XLogP0.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxypropyl)acrylamide
CID 10197698
N-2-hydroxyethylcrotonamide
CID 17765019
(Z)-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-2-enamide
CID 103730634
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
CID 103730652
N-(3,3,3-trifluoro-2-hydroxypropyl)hexa-2,4-dienamide
CID 103755773
(E)-N-(3,3-difluoro-2-hydroxypropyl)but-2-enamide
CID 103769589
(Z)-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpent-2-enamide
CID 103769682
N-(3,3-difluoro-2-hydroxypropyl)-3-methylbut-2-enamide
CID 103769956
N-(3,3-difluoro-2-hydroxypropyl)hexa-2,4-dienamide
CID 103770311
(E)-N-(2,2-difluoro-3-hydroxypropyl)but-2-enamide
CID 104857088
N-(2,2-difluoro-3-hydroxypropyl)hexa-2,4-dienamide
CID 104858148
N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
CID 105644620

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide?
The IUPAC name of (E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide (CID 103755858) is (E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide.
What is the SMILES notation for (E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide?
The canonical SMILES for (E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide is C/C=C/C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of (E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide?
The InChIKey is OVTDJBZAIBIOIG-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-2-3-6(13)11-4-5(12)7(8,9)10/h2-3,5,12H,4H2,1H3,(H,11,13)/b3-2+.
What are the key properties of (E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide?
(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide has a molecular weight of 197.16 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide is sourced from PubChem (CID 103755858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).