N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide

C9H14BrF2NO2 — CID 103516284

IUPACN-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide
SMILESCCCC(CNC(=O)C(F)F)C(=O)CBr
InChIInChI=1S/C9H14BrF2NO2/c1-2-3-6(7(14)4-10)5-13-9(15)8(11)12/h6,8H,2-5H2,1H3,(H,13,15)
InChIKeyYAMLNYJKVKPBDJ-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.75
Rot. Bonds7

About N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide

N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide (PubChem CID 103516284) has the molecular formula C9H14BrF2NO2 and a molecular weight of 286.12 g/mol. Its IUPAC name is N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide
PubChem CID103516284
Molecular FormulaC9H14BrF2NO2
Molecular Weight286.12 g/mol
Exact Mass285.02
IUPAC NameN-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide
SMILESCCCC(CNC(=O)C(F)F)C(=O)CBr
InChIInChI=1S/C9H14BrF2NO2/c1-2-3-6(7(14)4-10)5-13-9(15)8(11)12/h6,8H,2-5H2,1H3,(H,13,15)
InChIKeyYAMLNYJKVKPBDJ-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.75
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

6-Bromo-N-[4-(trifluoromethyl)pentyl]-hexanamide
CID 19422060
5-methyl-3-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 140847070
2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 140847076
(2R,5S)-N-(4-bromobutyl)-7,7,7-trifluoro-2,5-dimethyl-4,6-dioxoheptanamide
CID 161804665
N-(1-bromo-5-methyl-2-oxohexan-3-yl)-2,2-difluoroacetamide
CID 103516170
N-(1-bromo-4-methyl-2-oxohexan-3-yl)-2,2-difluoroacetamide
CID 103516187
N-(4-bromo-2-methyl-3-oxobutyl)-2,2-difluoroacetamide
CID 103516260
N-(4-bromo-3-oxo-2-propan-2-ylbutyl)-2,2-difluoroacetamide
CID 103516279
N-(4-bromo-2-ethyl-3-oxobutyl)-2,2-difluoroacetamide
CID 103516281
N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide
CID 103516290
N-[2-(2-bromoacetyl)cyclohexyl]-2,2-difluoroacetamide
CID 103516292
N-[2-(2-bromoacetyl)-4-methylpentyl]-2,2-difluoroacetamide
CID 103516341

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide (CID 103516284) is N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide is CCCC(CNC(=O)C(F)F)C(=O)CBr.
What is the InChIKey of N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide?
The InChIKey is YAMLNYJKVKPBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrF2NO2/c1-2-3-6(7(14)4-10)5-13-9(15)8(11)12/h6,8H,2-5H2,1H3,(H,13,15).
What are the key properties of N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide?
N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide has a molecular weight of 286.12 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoacetyl)pentyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103516284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).