N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide

C8H11F4NO — CID 88860880

IUPACN-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide
SMILESC=CC(=O)N(CCC(F)F)CC(F)F
InChIInChI=1S/C8H11F4NO/c1-2-8(14)13(5-7(11)12)4-3-6(9)10/h2,6-7H,1,3-5H2
InChIKeyGYGYGZSFNHMORI-UHFFFAOYSA-N
MW213.17 g/mol
LogP1.92
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide

N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide (PubChem CID 88860880) has the molecular formula C8H11F4NO and a molecular weight of 213.17 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide
PubChem CID88860880
Molecular FormulaC8H11F4NO
Molecular Weight213.17 g/mol
Exact Mass213.08
IUPAC NameN-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide
SMILESC=CC(=O)N(CCC(F)F)CC(F)F
InChIInChI=1S/C8H11F4NO/c1-2-8(14)13(5-7(11)12)4-3-6(9)10/h2,6-7H,1,3-5H2
InChIKeyGYGYGZSFNHMORI-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)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-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide (CID 88860880) is N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide is C=CC(=O)N(CCC(F)F)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide?
The InChIKey is GYGYGZSFNHMORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO/c1-2-8(14)13(5-7(11)12)4-3-6(9)10/h2,6-7H,1,3-5H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide?
N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide has a molecular weight of 213.17 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(3,3-difluoropropyl)prop-2-enamide is sourced from PubChem (CID 88860880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).