N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide

C8H12BrF2NO2 — CID 103516302

IUPACN-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide
SMILESCC(C)(CC(=O)CBr)NC(=O)C(F)F
InChIInChI=1S/C8H12BrF2NO2/c1-8(2,3-5(13)4-9)12-7(14)6(10)11/h6H,3-4H2,1-2H3,(H,12,14)
InChIKeyLDAZJUQYQHMXSX-UHFFFAOYSA-N
MW272.09 g/mol
LogP1.50
Rot. Bonds5

About N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide

N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide (PubChem CID 103516302) has the molecular formula C8H12BrF2NO2 and a molecular weight of 272.09 g/mol. Its IUPAC name is N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide
PubChem CID103516302
Molecular FormulaC8H12BrF2NO2
Molecular Weight272.09 g/mol
Exact Mass271.00
IUPAC NameN-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide
SMILESCC(C)(CC(=O)CBr)NC(=O)C(F)F
InChIInChI=1S/C8H12BrF2NO2/c1-8(2,3-5(13)4-9)12-7(14)6(10)11/h6H,3-4H2,1-2H3,(H,12,14)
InChIKeyLDAZJUQYQHMXSX-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dichloroethyl)-2,2-difluoroacetamide
CID 151425647
N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide
CID 103516372
N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide
CID 139120888
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid
CID 64670496
3-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoic acid
CID 64672861
(4S)-1-bromo-4,6-dihydroxy-4-methylhexan-2-one
CID 14831813
2,2-difluoro-N'-methylacetohydrazide
CID 23268500
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145
2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 103513975
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 64700346

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide (CID 103516302) is N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide is CC(C)(CC(=O)CBr)NC(=O)C(F)F.
What is the InChIKey of N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide?
The InChIKey is LDAZJUQYQHMXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrF2NO2/c1-8(2,3-5(13)4-9)12-7(14)6(10)11/h6H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide?
N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide has a molecular weight of 272.09 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103516302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).