2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide

C7H10BrF2NO — CID 126995643

IUPAC2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide
SMILESCC1CC(NC(=O)C(F)(F)Br)C1
InChIInChI=1S/C7H10BrF2NO/c1-4-2-5(3-4)11-6(12)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyJNOLOBXTWMYAES-UHFFFAOYSA-N
MW242.06 g/mol
LogP1.89
Rot. Bonds2

About 2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide

2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide (PubChem CID 126995643) has the molecular formula C7H10BrF2NO and a molecular weight of 242.06 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide
PubChem CID126995643
Molecular FormulaC7H10BrF2NO
Molecular Weight242.06 g/mol
Exact Mass240.99
IUPAC Name2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide
SMILESCC1CC(NC(=O)C(F)(F)Br)C1
InChIInChI=1S/C7H10BrF2NO/c1-4-2-5(3-4)11-6(12)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyJNOLOBXTWMYAES-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide?
The IUPAC name of 2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide (CID 126995643) is 2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide is CC1CC(NC(=O)C(F)(F)Br)C1.
What is the InChIKey of 2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide?
The InChIKey is JNOLOBXTWMYAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF2NO/c1-4-2-5(3-4)11-6(12)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide?
2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide has a molecular weight of 242.06 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-(3-methylcyclobutyl)acetamide is sourced from PubChem (CID 126995643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).