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

C12H13ClFN — CID 91667617

IUPAC(1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2C[C@@]2(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C12H13ClFN/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3/t9?,12-/m0/s1
InChIKeyJQVAHOXPFLQHIU-ACGXKRRESA-N
MW225.69 g/mol
LogP2.68
Rot. Bonds1

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

(1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 91667617) has the molecular formula C12H13ClFN and a molecular weight of 225.69 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID91667617
Molecular FormulaC12H13ClFN
Molecular Weight225.69 g/mol
Exact Mass225.07
IUPAC Name(1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2C[C@@]2(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C12H13ClFN/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3/t9?,12-/m0/s1
InChIKeyJQVAHOXPFLQHIU-ACGXKRRESA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane (CID 91667617) is (1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane is CN1CC2C[C@@]2(c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of (1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is JQVAHOXPFLQHIU-ACGXKRRESA-N. The full InChI is InChI=1S/C12H13ClFN/c1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-4,9H,5-7H2,1H3/t9?,12-/m0/s1.
What are the key properties of (1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
(1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 225.69 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 (1R)-1-(4-chloro-3-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 91667617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).