N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide

C6H9F2NO2 — CID 167098179

IUPACN-(2,2-difluoro-2-methoxyethyl)prop-2-enamide
SMILESC=CC(=O)NCC(F)(F)OC
InChIInChI=1S/C6H9F2NO2/c1-3-5(10)9-4-6(7,8)11-2/h3H,1,4H2,2H3,(H,9,10)
InChIKeyOFVLQQBCUCBBTJ-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.53
Rot. Bonds4

About N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide

N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide (PubChem CID 167098179) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2-difluoro-2-methoxyethyl)prop-2-enamide
PubChem CID167098179
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC NameN-(2,2-difluoro-2-methoxyethyl)prop-2-enamide
SMILESC=CC(=O)NCC(F)(F)OC
InChIInChI=1S/C6H9F2NO2/c1-3-5(10)9-4-6(7,8)11-2/h3H,1,4H2,2H3,(H,9,10)
InChIKeyOFVLQQBCUCBBTJ-UHFFFAOYSA-N
XLogP0.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2-difluoro-2-methoxyethyl)prop-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 N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide?
The IUPAC name of N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide (CID 167098179) is N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide?
The canonical SMILES for N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide is C=CC(=O)NCC(F)(F)OC.
What is the InChIKey of N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide?
The InChIKey is OFVLQQBCUCBBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-3-5(10)9-4-6(7,8)11-2/h3H,1,4H2,2H3,(H,9,10).
What are the key properties of N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide?
N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide has a molecular weight of 165.14 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 167098179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).