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

C9H12BrF2NO2 — CID 103516290

IUPACN-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide
SMILESO=C(NC1CCCC1C(=O)CBr)C(F)F
InChIInChI=1S/C9H12BrF2NO2/c10-4-7(14)5-2-1-3-6(5)13-9(15)8(11)12/h5-6,8H,1-4H2,(H,13,15)
InChIKeyMOHFOGCAKBDGEN-UHFFFAOYSA-N
MW284.10 g/mol
LogP1.50
Rot. Bonds4

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

N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide (PubChem CID 103516290) has the molecular formula C9H12BrF2NO2 and a molecular weight of 284.10 g/mol. Its IUPAC name is N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide
PubChem CID103516290
Molecular FormulaC9H12BrF2NO2
Molecular Weight284.10 g/mol
Exact Mass283.00
IUPAC NameN-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide
SMILESO=C(NC1CCCC1C(=O)CBr)C(F)F
InChIInChI=1S/C9H12BrF2NO2/c10-4-7(14)5-2-1-3-6(5)13-9(15)8(11)12/h5-6,8H,1-4H2,(H,13,15)
InChIKeyMOHFOGCAKBDGEN-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide (CID 103516290) is N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide is O=C(NC1CCCC1C(=O)CBr)C(F)F.
What is the InChIKey of N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide?
The InChIKey is MOHFOGCAKBDGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2NO2/c10-4-7(14)5-2-1-3-6(5)13-9(15)8(11)12/h5-6,8H,1-4H2,(H,13,15).
What are the key properties of N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide?
N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide has a molecular weight of 284.10 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoacetyl)cyclopentyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103516290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).