2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide

C7H11F4NO — CID 89315104

IUPAC2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCC(C)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO/c1-4(2)5(13)12-3-7(10,11)6(8)9/h4,6H,3H2,1-2H3,(H,12,13)
InChIKeyIHHADIYWJGBZDA-UHFFFAOYSA-N
MW201.16 g/mol
LogP1.66
Rot. Bonds4

About 2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide

2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide (PubChem CID 89315104) has the molecular formula C7H11F4NO and a molecular weight of 201.16 g/mol. Its IUPAC name is 2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
PubChem CID89315104
Molecular FormulaC7H11F4NO
Molecular Weight201.16 g/mol
Exact Mass201.08
IUPAC Name2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCC(C)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO/c1-4(2)5(13)12-3-7(10,11)6(8)9/h4,6H,3H2,1-2H3,(H,12,13)
InChIKeyIHHADIYWJGBZDA-UHFFFAOYSA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2,2,3,3-tetrafluoropropyl)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 2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The IUPAC name of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide (CID 89315104) is 2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The canonical SMILES for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide is CC(C)C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The InChIKey is IHHADIYWJGBZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO/c1-4(2)5(13)12-3-7(10,11)6(8)9/h4,6H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide has a molecular weight of 201.16 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide is sourced from PubChem (CID 89315104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).