(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide

C10H11F2NO2S — CID 103769597

IUPAC(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(O)C(F)F
InChIInChI=1S/C10H11F2NO2S/c11-10(12)8(14)6-13-9(15)4-3-7-2-1-5-16-7/h1-5,8,10,14H,6H2,(H,13,15)/b4-3+
InChIKeyJIHTXIJQVIZAFO-ONEGZZNKSA-N
MW247.27 g/mol
LogP1.50
Rot. Bonds5

About (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 103769597) has the molecular formula C10H11F2NO2S and a molecular weight of 247.27 g/mol. Its IUPAC name is (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID103769597
Molecular FormulaC10H11F2NO2S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Name(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(O)C(F)F
InChIInChI=1S/C10H11F2NO2S/c11-10(12)8(14)6-13-9(15)4-3-7-2-1-5-16-7/h1-5,8,10,14H,6H2,(H,13,15)/b4-3+
InChIKeyJIHTXIJQVIZAFO-ONEGZZNKSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide (CID 103769597) is (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCC(O)C(F)F.
What is the InChIKey of (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is JIHTXIJQVIZAFO-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H11F2NO2S/c11-10(12)8(14)6-13-9(15)4-3-7-2-1-5-16-7/h1-5,8,10,14H,6H2,(H,13,15)/b4-3+.
What are the key properties of (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 247.27 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 103769597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).