2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide

C6H10F3NO2 — CID 82725796

IUPAC2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)ONC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-5(2,3)12-10-4(11)6(7,8)9/h1-3H3,(H,10,11)
InChIKeyRMYOHGFUCZNBQU-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.39
Rot. Bonds1

About 2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide

2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 82725796) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID82725796
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)ONC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-5(2,3)12-10-4(11)6(7,8)9/h1-3H3,(H,10,11)
InChIKeyRMYOHGFUCZNBQU-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide (CID 82725796) is 2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)ONC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is RMYOHGFUCZNBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-5(2,3)12-10-4(11)6(7,8)9/h1-3H3,(H,10,11).
What are the key properties of 2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide?
2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 185.14 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 82725796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).