1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane

C11H11ClFN — CID 142391765

IUPAC1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane
SMILESFc1ccc(C23CNCC2C3)c(Cl)c1
InChIInChI=1S/C11H11ClFN/c12-10-3-8(13)1-2-9(10)11-4-7(11)5-14-6-11/h1-3,7,14H,4-6H2
InChIKeyAZSSYMXRSLXDHB-UHFFFAOYSA-N
MW211.67 g/mol
LogP2.34
Rot. Bonds1

About 1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane

1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 142391765) has the molecular formula C11H11ClFN and a molecular weight of 211.67 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID142391765
Molecular FormulaC11H11ClFN
Molecular Weight211.67 g/mol
Exact Mass211.06
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane
SMILESFc1ccc(C23CNCC2C3)c(Cl)c1
InChIInChI=1S/C11H11ClFN/c12-10-3-8(13)1-2-9(10)11-4-7(11)5-14-6-11/h1-3,7,14H,4-6H2
InChIKeyAZSSYMXRSLXDHB-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 66671185
(1S,5R)-1-(5-bromo-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane
CID 150644422
1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;hexane
CID 159699770
(1S,5R)-3-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane
CID 175819147
6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide
CID 114487148
1-(2-chloro-4-fluorophenyl)-2-ethylcyclopropan-1-ol
CID 79333044
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808
(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane
CID 143307302
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
(1S,5S)-1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 98043441
(5R)-1-(1-benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
CID 126704810
2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde
CID 135285014

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane (CID 142391765) is 1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane is Fc1ccc(C23CNCC2C3)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is AZSSYMXRSLXDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN/c12-10-3-8(13)1-2-9(10)11-4-7(11)5-14-6-11/h1-3,7,14H,4-6H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane?
1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 211.67 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 142391765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).