N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide

C10H16BrF2NO2 — CID 103516201

IUPACN-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide
SMILESCC(C)N(CCCC(=O)CBr)C(=O)C(F)F
InChIInChI=1S/C10H16BrF2NO2/c1-7(2)14(10(16)9(12)13)5-3-4-8(15)6-11/h7,9H,3-6H2,1-2H3
InChIKeyGPUKBAPUSOSTGI-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.23
Rot. Bonds7

About N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide

N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide (PubChem CID 103516201) has the molecular formula C10H16BrF2NO2 and a molecular weight of 300.14 g/mol. Its IUPAC name is N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide
PubChem CID103516201
Molecular FormulaC10H16BrF2NO2
Molecular Weight300.14 g/mol
Exact Mass299.03
IUPAC NameN-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide
SMILESCC(C)N(CCCC(=O)CBr)C(=O)C(F)F
InChIInChI=1S/C10H16BrF2NO2/c1-7(2)14(10(16)9(12)13)5-3-4-8(15)6-11/h7,9H,3-6H2,1-2H3
InChIKeyGPUKBAPUSOSTGI-UHFFFAOYSA-N
XLogP2.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.23
H-Bond Donors ≤ 50
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-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide?
The IUPAC name of N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide (CID 103516201) is N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide.
What is the SMILES notation for N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide?
The canonical SMILES for N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide is CC(C)N(CCCC(=O)CBr)C(=O)C(F)F.
What is the InChIKey of N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide?
The InChIKey is GPUKBAPUSOSTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF2NO2/c1-7(2)14(10(16)9(12)13)5-3-4-8(15)6-11/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide?
N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide has a molecular weight of 300.14 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-oxopentyl)-2,2-difluoro-N-propan-2-ylacetamide is sourced from PubChem (CID 103516201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).