N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide

C8H10BrF2NO — CID 130626238

IUPACN-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide
SMILESO=C(NC1CCC2CC21)C(F)(F)Br
InChIInChI=1S/C8H10BrF2NO/c9-8(10,11)7(13)12-6-2-1-4-3-5(4)6/h4-6H,1-3H2,(H,12,13)
InChIKeyZGAASVORTKADCU-UHFFFAOYSA-N
MW254.07 g/mol
LogP1.89
Rot. Bonds2

About N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide

N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide (PubChem CID 130626238) has the molecular formula C8H10BrF2NO and a molecular weight of 254.07 g/mol. Its IUPAC name is N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide
PubChem CID130626238
Molecular FormulaC8H10BrF2NO
Molecular Weight254.07 g/mol
Exact Mass252.99
IUPAC NameN-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide
SMILESO=C(NC1CCC2CC21)C(F)(F)Br
InChIInChI=1S/C8H10BrF2NO/c9-8(10,11)7(13)12-6-2-1-4-3-5(4)6/h4-6H,1-3H2,(H,12,13)
InChIKeyZGAASVORTKADCU-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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-(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
N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide
CID 131101660

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide?
The IUPAC name of N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide (CID 130626238) is N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide.
What is the SMILES notation for N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide?
The canonical SMILES for N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide is O=C(NC1CCC2CC21)C(F)(F)Br.
What is the InChIKey of N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide?
The InChIKey is ZGAASVORTKADCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NO/c9-8(10,11)7(13)12-6-2-1-4-3-5(4)6/h4-6H,1-3H2,(H,12,13).
What are the key properties of N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide?
N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide has a molecular weight of 254.07 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 N-(2-bicyclo[3.1.0]hexanyl)-2-bromo-2,2-difluoroacetamide is sourced from PubChem (CID 130626238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).