8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane

C14H18FNO — CID 141441394

IUPAC8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESFc1ccccc1CCN1C2CCC1COC2
InChIInChI=1S/C14H18FNO/c15-14-4-2-1-3-11(14)7-8-16-12-5-6-13(16)10-17-9-12/h1-4,12-13H,5-10H2
InChIKeyRCBNXKLYNSEICL-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.23
Rot. Bonds3

About 8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane

8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 141441394) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID141441394
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESFc1ccccc1CCN1C2CCC1COC2
InChIInChI=1S/C14H18FNO/c15-14-4-2-1-3-11(14)7-8-16-12-5-6-13(16)10-17-9-12/h1-4,12-13H,5-10H2
InChIKeyRCBNXKLYNSEICL-UHFFFAOYSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 141441394) is 8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane is Fc1ccccc1CCN1C2CCC1COC2.
What is the InChIKey of 8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is RCBNXKLYNSEICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-14-4-2-1-3-11(14)7-8-16-12-5-6-13(16)10-17-9-12/h1-4,12-13H,5-10H2.
What are the key properties of 8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane?
8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 235.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-fluorophenyl)ethyl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 141441394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).