3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide

C7H12F3NO2 — CID 65109792

IUPAC3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(C)(O)CNC(=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,13)4-11-5(12)3-7(8,9)10/h13H,3-4H2,1-2H3,(H,11,12)
InChIKeyZKPDOOCBCWZSLO-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.83
Rot. Bonds3

About 3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide

3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 65109792) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID65109792
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(C)(O)CNC(=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,13)4-11-5(12)3-7(8,9)10/h13H,3-4H2,1-2H3,(H,11,12)
InChIKeyZKPDOOCBCWZSLO-UHFFFAOYSA-N
XLogP0.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide (CID 65109792) is 3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide is CC(C)(O)CNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is ZKPDOOCBCWZSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(2,13)4-11-5(12)3-7(8,9)10/h13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide?
3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 199.17 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 65109792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).