N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H15BrF3NO2 — CID 103212765

IUPACN-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CCBr)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H15BrF3NO2/c1-8(2,3-4-10)14-7(15)5-16-6-9(11,12)13/h3-6H2,1-2H3,(H,14,15)
InChIKeyMJFQXXYGORRCJP-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.25
Rot. Bonds6

About N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212765) has the molecular formula C9H15BrF3NO2 and a molecular weight of 306.12 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212765
Molecular FormulaC9H15BrF3NO2
Molecular Weight306.12 g/mol
Exact Mass305.02
IUPAC NameN-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CCBr)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H15BrF3NO2/c1-8(2,3-4-10)14-7(15)5-16-6-9(11,12)13/h3-6H2,1-2H3,(H,14,15)
InChIKeyMJFQXXYGORRCJP-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.25
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-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212765) is N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)(CCBr)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is MJFQXXYGORRCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF3NO2/c1-8(2,3-4-10)14-7(15)5-16-6-9(11,12)13/h3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 306.12 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).