2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide

C6H6F5NO — CID 154256648

IUPAC2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F5NO/c1-3(2)4(13)12-6(10,11)5(7,8)9/h1H2,2H3,(H,12,13)
InChIKeyIOSBPUADYAOTTN-UHFFFAOYSA-N
MW203.11 g/mol
LogP1.83
Rot. Bonds2

About 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide

2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide (PubChem CID 154256648) has the molecular formula C6H6F5NO and a molecular weight of 203.11 g/mol. Its IUPAC name is 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide
PubChem CID154256648
Molecular FormulaC6H6F5NO
Molecular Weight203.11 g/mol
Exact Mass203.04
IUPAC Name2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F5NO/c1-3(2)4(13)12-6(10,11)5(7,8)9/h1H2,2H3,(H,12,13)
InChIKeyIOSBPUADYAOTTN-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)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 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide (CID 154256648) is 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide is C=C(C)C(=O)NC(F)(F)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide?
The InChIKey is IOSBPUADYAOTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5NO/c1-3(2)4(13)12-6(10,11)5(7,8)9/h1H2,2H3,(H,12,13).
What are the key properties of 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide?
2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide has a molecular weight of 203.11 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)prop-2-enamide is sourced from PubChem (CID 154256648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).