N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide

C9H17F3N2O2 — CID 82721531

IUPACN-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide
SMILESCCC(C)(C)NC(=O)CNOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-4-8(2,3)14-7(15)5-13-16-6-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15)
InChIKeyCIQUKVWVXPTPFB-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.37
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide

N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide (PubChem CID 82721531) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide
PubChem CID82721531
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide
SMILESCCC(C)(C)NC(=O)CNOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-4-8(2,3)14-7(15)5-13-16-6-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15)
InChIKeyCIQUKVWVXPTPFB-UHFFFAOYSA-N
XLogP1.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide (CID 82721531) is N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide is CCC(C)(C)NC(=O)CNOCC(F)(F)F.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide?
The InChIKey is CIQUKVWVXPTPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-4-8(2,3)14-7(15)5-13-16-6-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide?
N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide has a molecular weight of 242.24 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide is sourced from PubChem (CID 82721531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).