2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide

C8H10BrF2NO — CID 164654780

IUPAC2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide
SMILESO=C(CBr)NC1CC2C(C1)C2(F)F
InChIInChI=1S/C8H10BrF2NO/c9-3-7(13)12-4-1-5-6(2-4)8(5,10)11/h4-6H,1-3H2,(H,12,13)
InChIKeyYIUOYBMGUBOKAN-UHFFFAOYSA-N
MW254.07 g/mol
LogP1.54
Rot. Bonds2

About 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide

2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide (PubChem CID 164654780) has the molecular formula C8H10BrF2NO and a molecular weight of 254.07 g/mol. Its IUPAC name is 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide
PubChem CID164654780
Molecular FormulaC8H10BrF2NO
Molecular Weight254.07 g/mol
Exact Mass252.99
IUPAC Name2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide
SMILESO=C(CBr)NC1CC2C(C1)C2(F)F
InChIInChI=1S/C8H10BrF2NO/c9-3-7(13)12-4-1-5-6(2-4)8(5,10)11/h4-6H,1-3H2,(H,12,13)
InChIKeyYIUOYBMGUBOKAN-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]acetamide
CID 176403929
N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide
CID 178108214
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 63679501
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 63679696
2-bromo-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 63681406
N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide
CID 106366381
N-(6-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide
CID 126996427
N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide
CID 130626238
N-(6-bicyclo[3.1.0]hexanyl)-2,2,2-trifluoroacetamide
CID 130678275
2-bromo-N-[(2,2-difluorocyclopentyl)methyl]acetamide
CID 130834875
N-(6-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide
CID 130875476
N-(3-bicyclo[3.1.0]hexanyl)-2,2-difluoroacetamide
CID 131097754

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide?
The IUPAC name of 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide (CID 164654780) is 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide.
What is the SMILES notation for 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide?
The canonical SMILES for 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide is O=C(CBr)NC1CC2C(C1)C2(F)F.
What is the InChIKey of 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide?
The InChIKey is YIUOYBMGUBOKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NO/c9-3-7(13)12-4-1-5-6(2-4)8(5,10)11/h4-6H,1-3H2,(H,12,13).
What are the key properties of 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide?
2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide has a molecular weight of 254.07 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetamide is sourced from PubChem (CID 164654780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).