N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide

C8H12BrF2NO2 — CID 103516372

IUPACN-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide
SMILESCCC(CC(=O)CBr)NC(=O)C(F)F
InChIInChI=1S/C8H12BrF2NO2/c1-2-5(3-6(13)4-9)12-8(14)7(10)11/h5,7H,2-4H2,1H3,(H,12,14)
InChIKeyHWWOPDCREBFXSO-UHFFFAOYSA-N
MW272.09 g/mol
LogP1.50
Rot. Bonds6

About N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide

N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide (PubChem CID 103516372) has the molecular formula C8H12BrF2NO2 and a molecular weight of 272.09 g/mol. Its IUPAC name is N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide
PubChem CID103516372
Molecular FormulaC8H12BrF2NO2
Molecular Weight272.09 g/mol
Exact Mass271.00
IUPAC NameN-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide
SMILESCCC(CC(=O)CBr)NC(=O)C(F)F
InChIInChI=1S/C8H12BrF2NO2/c1-2-5(3-6(13)4-9)12-8(14)7(10)11/h5,7H,2-4H2,1H3,(H,12,14)
InChIKeyHWWOPDCREBFXSO-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(4-bromobutan-2-yl)-4,4,4-trifluorobutanamide
CID 83178246
N-(1-bromo-2-oxoheptan-3-yl)-2,2-difluoroacetamide
CID 103516159
N-(1-bromo-2-oxopentan-3-yl)-2,2-difluoroacetamide
CID 103516161
N-(1-bromo-5-methyl-2-oxohexan-3-yl)-2,2-difluoroacetamide
CID 103516170
N-(4-bromo-3-oxobutyl)-2,2-difluoroacetamide
CID 103516173
N-(1-bromo-4-methyl-2-oxohexan-3-yl)-2,2-difluoroacetamide
CID 103516187
N-(5-bromo-4-oxopentan-2-yl)-2,2-difluoroacetamide
CID 103516193
N-(1-bromo-2-oxohexan-3-yl)-2,2-difluoroacetamide
CID 103516195
N-(5-bromo-4-oxopentan-2-yl)-N-ethyl-2,2-difluoroacetamide
CID 103516271
N-(4-bromo-2-ethyl-3-oxobutyl)-2,2-difluoroacetamide
CID 103516281
N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide
CID 103516284
N-[2-(2-bromoacetyl)-4-methylpentyl]-2,2-difluoroacetamide
CID 103516341

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide (CID 103516372) is N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide is CCC(CC(=O)CBr)NC(=O)C(F)F.
What is the InChIKey of N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide?
The InChIKey is HWWOPDCREBFXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrF2NO2/c1-2-5(3-6(13)4-9)12-8(14)7(10)11/h5,7H,2-4H2,1H3,(H,12,14).
What are the key properties of N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide?
N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide has a molecular weight of 272.09 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-5-oxohexan-3-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103516372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).