9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane

C10H18FNO2 — CID 118447126

IUPAC9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCOC1CC2COCC(C1)N2CCF
InChIInChI=1S/C10H18FNO2/c1-13-10-4-8-6-14-7-9(5-10)12(8)3-2-11/h8-10H,2-7H2,1H3
InChIKeyKOMAJFGUSJPVAY-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.83
Rot. Bonds3

About 9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane

9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane (PubChem CID 118447126) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane
PubChem CID118447126
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCOC1CC2COCC(C1)N2CCF
InChIInChI=1S/C10H18FNO2/c1-13-10-4-8-6-14-7-9(5-10)12(8)3-2-11/h8-10H,2-7H2,1H3
InChIKeyKOMAJFGUSJPVAY-UHFFFAOYSA-N
XLogP0.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane (CID 118447126) is 9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane is COC1CC2COCC(C1)N2CCF.
What is the InChIKey of 9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane?
The InChIKey is KOMAJFGUSJPVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-13-10-4-8-6-14-7-9(5-10)12(8)3-2-11/h8-10H,2-7H2,1H3.
What are the key properties of 9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane?
9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane has a molecular weight of 203.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 118447126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).