N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide

C9H11F2NO — CID 130628623

IUPACN-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide
SMILESC#CC(=O)NCC(F)(F)C1CCC1
InChIInChI=1S/C9H11F2NO/c1-2-8(13)12-6-9(10,11)7-4-3-5-7/h1,7H,3-6H2,(H,12,13)
InChIKeyZQMNMHPFRYWSLE-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.17
Rot. Bonds3

About N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide

N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide (PubChem CID 130628623) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide
PubChem CID130628623
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC NameN-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide
SMILESC#CC(=O)NCC(F)(F)C1CCC1
InChIInChI=1S/C9H11F2NO/c1-2-8(13)12-6-9(10,11)7-4-3-5-7/h1,7H,3-6H2,(H,12,13)
InChIKeyZQMNMHPFRYWSLE-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide 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 N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide?
The IUPAC name of N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide (CID 130628623) is N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide.
What is the SMILES notation for N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide?
The canonical SMILES for N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide is C#CC(=O)NCC(F)(F)C1CCC1.
What is the InChIKey of N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide?
The InChIKey is ZQMNMHPFRYWSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-2-8(13)12-6-9(10,11)7-4-3-5-7/h1,7H,3-6H2,(H,12,13).
What are the key properties of N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide?
N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide has a molecular weight of 187.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-2,2-difluoroethyl)prop-2-ynamide is sourced from PubChem (CID 130628623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).