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

C6H7F6NO2 — CID 57480374

IUPAC2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO2/c1-4(15,6(10,11)12)2-13-3(14)5(7,8)9/h15H,2H2,1H3,(H,13,14)
InChIKeyCUOPQKZBIPYDCA-UHFFFAOYSA-N
MW239.12 g/mol
LogP0.98
Rot. Bonds2

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

2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide (PubChem CID 57480374) has the molecular formula C6H7F6NO2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
PubChem CID57480374
Molecular FormulaC6H7F6NO2
Molecular Weight239.12 g/mol
Exact Mass239.04
IUPAC Name2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO2/c1-4(15,6(10,11)12)2-13-3(14)5(7,8)9/h15H,2H2,1H3,(H,13,14)
InChIKeyCUOPQKZBIPYDCA-UHFFFAOYSA-N
XLogP0.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide (CID 57480374) is 2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide is CC(O)(CNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is CUOPQKZBIPYDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6NO2/c1-4(15,6(10,11)12)2-13-3(14)5(7,8)9/h15H,2H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 239.12 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 57480374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).