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

C12H22FNO2 — CID 118442210

IUPAC9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCC(C)OC1CC2COCC(C1)N2CCF
InChIInChI=1S/C12H22FNO2/c1-9(2)16-12-5-10-7-15-8-11(6-12)14(10)4-3-13/h9-12H,3-8H2,1-2H3
InChIKeyYBZJLEFLKBDCRD-UHFFFAOYSA-N
MW231.31 g/mol
LogP1.61
Rot. Bonds4

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

9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane (PubChem CID 118442210) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is 9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane
PubChem CID118442210
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCC(C)OC1CC2COCC(C1)N2CCF
InChIInChI=1S/C12H22FNO2/c1-9(2)16-12-5-10-7-15-8-11(6-12)14(10)4-3-13/h9-12H,3-8H2,1-2H3
InChIKeyYBZJLEFLKBDCRD-UHFFFAOYSA-N
XLogP1.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 51.61
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-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane (CID 118442210) is 9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane is CC(C)OC1CC2COCC(C1)N2CCF.
What is the InChIKey of 9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane?
The InChIKey is YBZJLEFLKBDCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-9(2)16-12-5-10-7-15-8-11(6-12)14(10)4-3-13/h9-12H,3-8H2,1-2H3.
What are the key properties of 9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane?
9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane has a molecular weight of 231.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 118442210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).