2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide

C7H11F4NO2 — CID 103874502

IUPAC2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
SMILESCC(CO)N(C)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO2/c1-4(3-13)12(2)6(14)7(10,11)5(8)9/h4-5,13H,3H2,1-2H3
InChIKeyLXLFRCYVRNMFAY-UHFFFAOYSA-N
MW217.16 g/mol
LogP0.73
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide

2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide (PubChem CID 103874502) has the molecular formula C7H11F4NO2 and a molecular weight of 217.16 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
PubChem CID103874502
Molecular FormulaC7H11F4NO2
Molecular Weight217.16 g/mol
Exact Mass217.07
IUPAC Name2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
SMILESCC(CO)N(C)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO2/c1-4(3-13)12(2)6(14)7(10,11)5(8)9/h4-5,13H,3H2,1-2H3
InChIKeyLXLFRCYVRNMFAY-UHFFFAOYSA-N
XLogP0.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide 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 2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide (CID 103874502) is 2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide is CC(CO)N(C)C(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
The InChIKey is LXLFRCYVRNMFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO2/c1-4(3-13)12(2)6(14)7(10,11)5(8)9/h4-5,13H,3H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide has a molecular weight of 217.16 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 103874502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).