2-bromo-N-(4,4-difluorobutan-2-yl)acetamide

C6H10BrF2NO — CID 131206669

IUPAC2-bromo-N-(4,4-difluorobutan-2-yl)acetamide
SMILESCC(CC(F)F)NC(=O)CBr
InChIInChI=1S/C6H10BrF2NO/c1-4(2-5(8)9)10-6(11)3-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyQGKMHCYFGACUMF-UHFFFAOYSA-N
MW230.05 g/mol
LogP1.54
Rot. Bonds4

About 2-bromo-N-(4,4-difluorobutan-2-yl)acetamide

2-bromo-N-(4,4-difluorobutan-2-yl)acetamide (PubChem CID 131206669) has the molecular formula C6H10BrF2NO and a molecular weight of 230.05 g/mol. Its IUPAC name is 2-bromo-N-(4,4-difluorobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4,4-difluorobutan-2-yl)acetamide
PubChem CID131206669
Molecular FormulaC6H10BrF2NO
Molecular Weight230.05 g/mol
Exact Mass228.99
IUPAC Name2-bromo-N-(4,4-difluorobutan-2-yl)acetamide
SMILESCC(CC(F)F)NC(=O)CBr
InChIInChI=1S/C6H10BrF2NO/c1-4(2-5(8)9)10-6(11)3-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyQGKMHCYFGACUMF-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-pentan-2-ylacetamide
CID 54179178
2-bromo-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64630189
2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
CID 87981003
N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212483
N-[bis(dimethylphosphoryl)methyl]-2-bromoacetamide
CID 122631433
2,3-bis[(2-bromoacetyl)amino]butanedioic acid
CID 135352932
N-(5-bromopentan-2-yl)butanamide
CID 114316345
2-[[(2S)-2-[(2-bromoacetyl)amino]-4-methylpentanoyl]amino]propanoic acid
CID 141023780
3,3-difluoro-N-propan-2-ylpropanamide
CID 177328037
4-hydroxy-N-(4-methylpentan-2-yl)pentanamide
CID 79204272
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide
CID 112604192

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4,4-difluorobutan-2-yl)acetamide?
The IUPAC name of 2-bromo-N-(4,4-difluorobutan-2-yl)acetamide (CID 131206669) is 2-bromo-N-(4,4-difluorobutan-2-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(4,4-difluorobutan-2-yl)acetamide?
The canonical SMILES for 2-bromo-N-(4,4-difluorobutan-2-yl)acetamide is CC(CC(F)F)NC(=O)CBr.
What is the InChIKey of 2-bromo-N-(4,4-difluorobutan-2-yl)acetamide?
The InChIKey is QGKMHCYFGACUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF2NO/c1-4(2-5(8)9)10-6(11)3-7/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-bromo-N-(4,4-difluorobutan-2-yl)acetamide?
2-bromo-N-(4,4-difluorobutan-2-yl)acetamide has a molecular weight of 230.05 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4,4-difluorobutan-2-yl)acetamide is sourced from PubChem (CID 131206669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).