(E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide

C10H12F2N2OS — CID 114383591

IUPAC(E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide
SMILESNCC(F)(F)CNC(=O)/C=C/c1cccs1
InChIInChI=1S/C10H12F2N2OS/c11-10(12,6-13)7-14-9(15)4-3-8-2-1-5-16-8/h1-5H,6-7,13H2,(H,14,15)/b4-3+
InChIKeyOCYZPYTVEUIZCO-ONEGZZNKSA-N
MW246.28 g/mol
LogP1.47
Rot. Bonds5

About (E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 114383591) has the molecular formula C10H12F2N2OS and a molecular weight of 246.28 g/mol. Its IUPAC name is (E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID114383591
Molecular FormulaC10H12F2N2OS
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name(E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide
SMILESNCC(F)(F)CNC(=O)/C=C/c1cccs1
InChIInChI=1S/C10H12F2N2OS/c11-10(12,6-13)7-14-9(15)4-3-8-2-1-5-16-8/h1-5H,6-7,13H2,(H,14,15)/b4-3+
InChIKeyOCYZPYTVEUIZCO-ONEGZZNKSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.47
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-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide (CID 114383591) is (E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide is NCC(F)(F)CNC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is OCYZPYTVEUIZCO-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12F2N2OS/c11-10(12,6-13)7-14-9(15)4-3-8-2-1-5-16-8/h1-5H,6-7,13H2,(H,14,15)/b4-3+.
What are the key properties of (E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 246.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-amino-2,2-difluoropropyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 114383591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).