3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide

C10H15F2NO2 — CID 103211868

IUPAC3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide
SMILESC#CC(C)(C)NC(=O)CCOCC(F)F
InChIInChI=1S/C10H15F2NO2/c1-4-10(2,3)13-9(14)5-6-15-7-8(11)12/h1,8H,5-7H2,2-3H3,(H,13,14)
InChIKeyFTVHJHVXYVRUMN-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.19
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide

3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide (PubChem CID 103211868) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide
PubChem CID103211868
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide
SMILESC#CC(C)(C)NC(=O)CCOCC(F)F
InChIInChI=1S/C10H15F2NO2/c1-4-10(2,3)13-9(14)5-6-15-7-8(11)12/h1,8H,5-7H2,2-3H3,(H,13,14)
InChIKeyFTVHJHVXYVRUMN-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide 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 3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide (CID 103211868) is 3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide is C#CC(C)(C)NC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide?
The InChIKey is FTVHJHVXYVRUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-4-10(2,3)13-9(14)5-6-15-7-8(11)12/h1,8H,5-7H2,2-3H3,(H,13,14).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide has a molecular weight of 219.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide is sourced from PubChem (CID 103211868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).