2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane

C12H22FNO — CID 177126340

IUPAC2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)OCC1C2CCC(C2)N1CCF
InChIInChI=1S/C12H22FNO/c1-9(2)15-8-12-10-3-4-11(7-10)14(12)6-5-13/h9-12H,3-8H2,1-2H3
InChIKeyZLZJFCGWZWMREQ-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane

2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 177126340) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane
PubChem CID177126340
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)OCC1C2CCC(C2)N1CCF
InChIInChI=1S/C12H22FNO/c1-9(2)15-8-12-10-3-4-11(7-10)14(12)6-5-13/h9-12H,3-8H2,1-2H3
InChIKeyZLZJFCGWZWMREQ-UHFFFAOYSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

((1S,3R,4R)-2-(2-Fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl)methanol
CID 154644167
[(3R,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 154984387
[(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 154990503
[(1S,3R,4S)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 155233333
[2-(2-Fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 168880967
(1S,4R)-2-(2-fluoroethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane
CID 171590818
(4R)-2-(2-fluoroethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane
CID 171590851
((1S,3S,4R)-2-(2-Fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl)methanol
CID 168446344
2-(2-Fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane
CID 168881022
8-Methyl-2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58468802
3,5,8-Trimethyl-6-oxa-8-azabicyclo[3.2.1]octane
CID 68261300
3-(Propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane
CID 68275148

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane (CID 177126340) is 2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane is CC(C)OCC1C2CCC(C2)N1CCF.
What is the InChIKey of 2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is ZLZJFCGWZWMREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-9(2)15-8-12-10-3-4-11(7-10)14(12)6-5-13/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane?
2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 215.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-3-(propan-2-yloxymethyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 177126340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).