N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C8H13BrF3NO2 — CID 103212456

IUPACN-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CBr)NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H13BrF3NO2/c1-7(2,4-9)13-6(14)3-15-5-8(10,11)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyNLJBEKGSPOTBJX-UHFFFAOYSA-N
MW292.10 g/mol
LogP1.86
Rot. Bonds5

About N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212456) has the molecular formula C8H13BrF3NO2 and a molecular weight of 292.10 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212456
Molecular FormulaC8H13BrF3NO2
Molecular Weight292.10 g/mol
Exact Mass291.01
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CBr)NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H13BrF3NO2/c1-7(2,4-9)13-6(14)3-15-5-8(10,11)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyNLJBEKGSPOTBJX-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212456) is N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)(CBr)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is NLJBEKGSPOTBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF3NO2/c1-7(2,4-9)13-6(14)3-15-5-8(10,11)12/h3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 292.10 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).