2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

C7H11F4NO2 — CID 4650152

IUPAC2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO2/c1-6(2,3-13)12-5(14)7(10,11)4(8)9/h4,13H,3H2,1-2H3,(H,12,14)
InChIKeyZSSOLAVWNRYBPR-UHFFFAOYSA-N
MW217.16 g/mol
LogP0.77
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 4650152) 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-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID4650152
Molecular FormulaC7H11F4NO2
Molecular Weight217.16 g/mol
Exact Mass217.07
IUPAC Name2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO2/c1-6(2,3-13)12-5(14)7(10,11)4(8)9/h4,13H,3H2,1-2H3,(H,12,14)
InChIKeyZSSOLAVWNRYBPR-UHFFFAOYSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 4650152) is 2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is CC(C)(CO)NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is ZSSOLAVWNRYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO2/c1-6(2,3-13)12-5(14)7(10,11)4(8)9/h4,13H,3H2,1-2H3,(H,12,14).
What are the key properties of 2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 217.16 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 4650152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).