(Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide

C9H15F2NO2 — CID 104857267

IUPAC(Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H15F2NO2/c1-3-4-7(2)8(14)12-5-9(10,11)6-13/h4,13H,3,5-6H2,1-2H3,(H,12,14)/b7-4-
InChIKeyKLMLVQLEGXIEEW-DAXSKMNVSA-N
MW207.22 g/mol
LogP1.09
Rot. Bonds5

About (Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide

(Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide (PubChem CID 104857267) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is (Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide
PubChem CID104857267
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name(Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H15F2NO2/c1-3-4-7(2)8(14)12-5-9(10,11)6-13/h4,13H,3,5-6H2,1-2H3,(H,12,14)/b7-4-
InChIKeyKLMLVQLEGXIEEW-DAXSKMNVSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide (CID 104857267) is (Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCC(F)(F)CO.
What is the InChIKey of (Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide?
The InChIKey is KLMLVQLEGXIEEW-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-3-4-7(2)8(14)12-5-9(10,11)6-13/h4,13H,3,5-6H2,1-2H3,(H,12,14)/b7-4-.
What are the key properties of (Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide?
(Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide has a molecular weight of 207.22 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide is sourced from PubChem (CID 104857267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).