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

C9H12BrF2NO — CID 164654784

IUPAC2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide
SMILESCC(Br)C(=O)NC1CC2C(C1)C2(F)F
InChIInChI=1S/C9H12BrF2NO/c1-4(10)8(14)13-5-2-6-7(3-5)9(6,11)12/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyFBAPTAXMIQKAOF-UHFFFAOYSA-N
MW268.10 g/mol
LogP1.93
Rot. Bonds2

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

2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide (PubChem CID 164654784) has the molecular formula C9H12BrF2NO and a molecular weight of 268.10 g/mol. Its IUPAC name is 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide
PubChem CID164654784
Molecular FormulaC9H12BrF2NO
Molecular Weight268.10 g/mol
Exact Mass267.01
IUPAC Name2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide
SMILESCC(Br)C(=O)NC1CC2C(C1)C2(F)F
InChIInChI=1S/C9H12BrF2NO/c1-4(10)8(14)13-5-2-6-7(3-5)9(6,11)12/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyFBAPTAXMIQKAOF-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 51.93
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-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 43700688
2-bromo-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 43701259
2-bromo-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 43701269
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 62856040
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 62856041
2-bromo-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 62856727
2-bromo-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 107903907
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 107903955
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 107903956
2-bromo-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 114327941

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide?
The IUPAC name of 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide (CID 164654784) is 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide.
What is the SMILES notation for 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide?
The canonical SMILES for 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide is CC(Br)C(=O)NC1CC2C(C1)C2(F)F.
What is the InChIKey of 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide?
The InChIKey is FBAPTAXMIQKAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2NO/c1-4(10)8(14)13-5-2-6-7(3-5)9(6,11)12/h4-7H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide?
2-bromo-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanamide has a molecular weight of 268.10 g/mol, XLogP of 1.93, 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)propanamide is sourced from PubChem (CID 164654784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).