5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane

C12H22FN — CID 127016526

IUPAC5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane
SMILESCC(C)C(C)C(C)(F)C1C2CNC1C2
InChIInChI=1S/C12H22FN/c1-7(2)8(3)12(4,13)11-9-5-10(11)14-6-9/h7-11,14H,5-6H2,1-4H3
InChIKeyDMRHVDMIEDLYOD-UHFFFAOYSA-N
MW199.31 g/mol
LogP2.61
Rot. Bonds3

About 5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane

5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane (PubChem CID 127016526) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane
PubChem CID127016526
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane
SMILESCC(C)C(C)C(C)(F)C1C2CNC1C2
InChIInChI=1S/C12H22FN/c1-7(2)8(3)12(4,13)11-9-5-10(11)14-6-9/h7-11,14H,5-6H2,1-4H3
InChIKeyDMRHVDMIEDLYOD-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-(2-azabicyclo[2.1.1]hexan-5-yl)propanenitrile
CID 127016539
(1S,4S)-2-azabicyclo[2.1.0]pentane
CID 29082085
(1R,4R)-2-azabicyclo[2.1.0]pentane
CID 29082087
2-azabicyclo[2.1.0]pentane;hydrochloride
CID 67309553
(1S,4R,5S)-5-fluoro-2-azabicyclo[2.1.1]hexane
CID 55280748
(1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane
CID 168742834
5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane
CID 131059636
tert-butyl (1S,4R)-2-azabicyclo[2.1.1]hexane-5-carboxylate
CID 177168945
2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine
CID 130787774
(2S,4R)-2,4-dicyclopropylpyrrolidine
CID 92569047
2-azabicyclo[2.1.1]hexane-5-thiol
CID 123927307
6-azatricyclo[3.2.1.03,8]octane
CID 129230389

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane (CID 127016526) is 5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane is CC(C)C(C)C(C)(F)C1C2CNC1C2.
What is the InChIKey of 5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane?
The InChIKey is DMRHVDMIEDLYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-7(2)8(3)12(4,13)11-9-5-10(11)14-6-9/h7-11,14H,5-6H2,1-4H3.
What are the key properties of 5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane?
5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane has a molecular weight of 199.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 127016526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).