(1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane

C11H11BrFN — CID 150644422

IUPAC(1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane
SMILESFc1ccc(Br)cc1[C@@]12CNC[C@@H]1C2
InChIInChI=1S/C11H11BrFN/c12-8-1-2-10(13)9(3-8)11-4-7(11)5-14-6-11/h1-3,7,14H,4-6H2/t7-,11-/m0/s1
InChIKeyJAOOWRGPUVJTQA-CPCISQLKSA-N
MW256.12 g/mol
LogP2.45
Rot. Bonds1

About (1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane

(1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 150644422) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is (1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID150644422
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name(1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane
SMILESFc1ccc(Br)cc1[C@@]12CNC[C@@H]1C2
InChIInChI=1S/C11H11BrFN/c12-8-1-2-10(13)9(3-8)11-4-7(11)5-14-6-11/h1-3,7,14H,4-6H2/t7-,11-/m0/s1
InChIKeyJAOOWRGPUVJTQA-CPCISQLKSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane
CID 143307302
1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 66671185
1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane
CID 142391765
3-(5-bromo-2-fluorophenyl)azetidin-3-ol
CID 79742267
3-(5-bromo-2-fluorophenyl)pyrrolidin-3-ol
CID 79743506
3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine
CID 116870742
(3aR,6aS)-6a-(5-bromo-2-fluorophenyl)-1,3,3a,4,5,6-hexahydrocyclopenta[c][1,2]oxazol-5-ol
CID 122549659
(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 90840976
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene
CID 116540408

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane (CID 150644422) is (1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane is Fc1ccc(Br)cc1[C@@]12CNC[C@@H]1C2.
What is the InChIKey of (1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is JAOOWRGPUVJTQA-CPCISQLKSA-N. The full InChI is InChI=1S/C11H11BrFN/c12-8-1-2-10(13)9(3-8)11-4-7(11)5-14-6-11/h1-3,7,14H,4-6H2/t7-,11-/m0/s1.
What are the key properties of (1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane?
(1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 256.12 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 150644422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).