2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide

C8H12BrF2NO — CID 130834875

IUPAC2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide
SMILESO=C(CBr)NCC1CCCC1(F)F
InChIInChI=1S/C8H12BrF2NO/c9-4-7(13)12-5-6-2-1-3-8(6,10)11/h6H,1-5H2,(H,12,13)
InChIKeyUFHATBMZWOBHEA-UHFFFAOYSA-N
MW256.09 g/mol
LogP1.93
Rot. Bonds3

About 2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide

2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide (PubChem CID 130834875) has the molecular formula C8H12BrF2NO and a molecular weight of 256.09 g/mol. Its IUPAC name is 2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide
PubChem CID130834875
Molecular FormulaC8H12BrF2NO
Molecular Weight256.09 g/mol
Exact Mass255.01
IUPAC Name2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide
SMILESO=C(CBr)NCC1CCCC1(F)F
InChIInChI=1S/C8H12BrF2NO/c9-4-7(13)12-5-6-2-1-3-8(6,10)11/h6H,1-5H2,(H,12,13)
InChIKeyUFHATBMZWOBHEA-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide?
The IUPAC name of 2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide (CID 130834875) is 2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide?
The canonical SMILES for 2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide is O=C(CBr)NCC1CCCC1(F)F.
What is the InChIKey of 2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide?
The InChIKey is UFHATBMZWOBHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrF2NO/c9-4-7(13)12-5-6-2-1-3-8(6,10)11/h6H,1-5H2,(H,12,13).
What are the key properties of 2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide?
2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide has a molecular weight of 256.09 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide is sourced from PubChem (CID 130834875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).