3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane

C10H18FNO — CID 130668557

IUPAC3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane
SMILESCCC(F)CN1CC2COC(C2)C1
InChIInChI=1S/C10H18FNO/c1-2-9(11)5-12-4-8-3-10(6-12)13-7-8/h8-10H,2-7H2,1H3
InChIKeyYHKGFGFVXMTEQO-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.46
Rot. Bonds3

About 3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane

3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 130668557) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane
PubChem CID130668557
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane
SMILESCCC(F)CN1CC2COC(C2)C1
InChIInChI=1S/C10H18FNO/c1-2-9(11)5-12-4-8-3-10(6-12)13-7-8/h8-10H,2-7H2,1H3
InChIKeyYHKGFGFVXMTEQO-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane (CID 130668557) is 3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane is CCC(F)CN1CC2COC(C2)C1.
What is the InChIKey of 3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is YHKGFGFVXMTEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-2-9(11)5-12-4-8-3-10(6-12)13-7-8/h8-10H,2-7H2,1H3.
What are the key properties of 3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane?
3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 187.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorobutyl)-6-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130668557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).