N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide

C10H16BrF2NO2 — CID 103516355

IUPACN-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide
SMILESCCC(CC)(CNC(=O)C(F)F)C(=O)CBr
InChIInChI=1S/C10H16BrF2NO2/c1-3-10(4-2,7(15)5-11)6-14-9(16)8(12)13/h8H,3-6H2,1-2H3,(H,14,16)
InChIKeyNWXFGBFMSSIZJF-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.14
Rot. Bonds7

About N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide

N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide (PubChem CID 103516355) has the molecular formula C10H16BrF2NO2 and a molecular weight of 300.14 g/mol. Its IUPAC name is N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide
PubChem CID103516355
Molecular FormulaC10H16BrF2NO2
Molecular Weight300.14 g/mol
Exact Mass299.03
IUPAC NameN-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide
SMILESCCC(CC)(CNC(=O)C(F)F)C(=O)CBr
InChIInChI=1S/C10H16BrF2NO2/c1-3-10(4-2,7(15)5-11)6-14-9(16)8(12)13/h8H,3-6H2,1-2H3,(H,14,16)
InChIKeyNWXFGBFMSSIZJF-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.14
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-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide?
The IUPAC name of N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide (CID 103516355) is N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide is CCC(CC)(CNC(=O)C(F)F)C(=O)CBr.
What is the InChIKey of N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide?
The InChIKey is NWXFGBFMSSIZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF2NO2/c1-3-10(4-2,7(15)5-11)6-14-9(16)8(12)13/h8H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide?
N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide has a molecular weight of 300.14 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-diethyl-3-oxobutyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103516355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).