2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane

C10H18FNO — CID 168881022

IUPAC2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane
SMILESCOCC1C2CCC(C2)N1CCF
InChIInChI=1S/C10H18FNO/c1-13-7-10-8-2-3-9(6-8)12(10)5-4-11/h8-10H,2-7H2,1H3
InChIKeyQYLALVIALUTMGX-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.46
Rot. Bonds4

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

2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 168881022) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane
PubChem CID168881022
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane
SMILESCOCC1C2CCC(C2)N1CCF
InChIInChI=1S/C10H18FNO/c1-13-7-10-8-2-3-9(6-8)12(10)5-4-11/h8-10H,2-7H2,1H3
InChIKeyQYLALVIALUTMGX-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
CID 58778702
((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
1-(3-Fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine
CID 163614757
1-(3-Fluoropropyl)-2-(methoxymethyl)-5-(2-methylpropyl)pyrrolidine
CID 163977874
(3R,8aS)-7-fluoro-3-(methoxymethyl)-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizine
CID 167216526
[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
2-(1-Fluoroethoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
CID 175612381

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane (CID 168881022) is 2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane is COCC1C2CCC(C2)N1CCF.
What is the InChIKey of 2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is QYLALVIALUTMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-13-7-10-8-2-3-9(6-8)12(10)5-4-11/h8-10H,2-7H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane?
2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 187.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-3-(methoxymethyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 168881022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).