1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane

C12H14FN — CID 66671185

IUPAC1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCc1ccc(C23CNCC2C3)c(F)c1
InChIInChI=1S/C12H14FN/c1-8-2-3-10(11(13)4-8)12-5-9(12)6-14-7-12/h2-4,9,14H,5-7H2,1H3
InChIKeyLGRHOXLDDMBJQT-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.00
Rot. Bonds1

About 1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane

1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 66671185) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID66671185
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCc1ccc(C23CNCC2C3)c(F)c1
InChIInChI=1S/C12H14FN/c1-8-2-3-10(11(13)4-8)12-5-9(12)6-14-7-12/h2-4,9,14H,5-7H2,1H3
InChIKeyLGRHOXLDDMBJQT-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane (CID 66671185) is 1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane is Cc1ccc(C23CNCC2C3)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is LGRHOXLDDMBJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-8-2-3-10(11(13)4-8)12-5-9(12)6-14-7-12/h2-4,9,14H,5-7H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 191.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 66671185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).