5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane

C9H16FNO — CID 131131578

IUPAC5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCCC(F)CN1CC2CC1CO2
InChIInChI=1S/C9H16FNO/c1-2-7(10)4-11-5-9-3-8(11)6-12-9/h7-9H,2-6H2,1H3
InChIKeyJOZWTMQOUQOXNK-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.21
Rot. Bonds3

About 5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 131131578) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID131131578
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCCC(F)CN1CC2CC1CO2
InChIInChI=1S/C9H16FNO/c1-2-7(10)4-11-5-9-3-8(11)6-12-9/h7-9H,2-6H2,1H3
InChIKeyJOZWTMQOUQOXNK-UHFFFAOYSA-N
XLogP1.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 131131578) is 5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane is CCC(F)CN1CC2CC1CO2.
What is the InChIKey of 5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is JOZWTMQOUQOXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-7(10)4-11-5-9-3-8(11)6-12-9/h7-9H,2-6H2,1H3.
What are the key properties of 5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 173.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131131578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).