3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone

C12H11BrFNO — CID 162788159

IUPAC3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone
SMILESO=C(c1ccc(Br)c(F)c1)N1CC2CC2C1
InChIInChI=1S/C12H11BrFNO/c13-10-2-1-7(4-11(10)14)12(16)15-5-8-3-9(8)6-15/h1-2,4,8-9H,3,5-6H2
InChIKeyZSLSYZMBSJPSGU-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.68
Rot. Bonds1

About 3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone

3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone (PubChem CID 162788159) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone
PubChem CID162788159
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone
SMILESO=C(c1ccc(Br)c(F)c1)N1CC2CC2C1
InChIInChI=1S/C12H11BrFNO/c13-10-2-1-7(4-11(10)14)12(16)15-5-8-3-9(8)6-15/h1-2,4,8-9H,3,5-6H2
InChIKeyZSLSYZMBSJPSGU-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3-fluorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932972
(4-bromo-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564258
(4-bromo-3-fluorophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203198
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 120657413
(4-bromo-3-fluorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697956
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-amino-4-bromophenyl)methanone
CID 115558697
3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone
CID 84582108
(4-bromo-3-fluorophenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030390
(4-bromo-3-fluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282660
3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone
CID 168961119
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-3-fluorophenyl)methanone;hydrochloride
CID 119631409
N-(2-aminoethyl)-1-(4-bromo-3-fluorobenzoyl)piperidine-3-carboxamide
CID 119385141

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone (CID 162788159) is 3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone is O=C(c1ccc(Br)c(F)c1)N1CC2CC2C1.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone?
The InChIKey is ZSLSYZMBSJPSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c13-10-2-1-7(4-11(10)14)12(16)15-5-8-3-9(8)6-15/h1-2,4,8-9H,3,5-6H2.
What are the key properties of 3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone?
3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone has a molecular weight of 284.13 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone is sourced from PubChem (CID 162788159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).