8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane

C13H24FNO2 — CID 170083155

IUPAC8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)OCC(C)(F)CN1C2CCC1COC2
InChIInChI=1S/C13H24FNO2/c1-10(2)17-9-13(3,14)8-15-11-4-5-12(15)7-16-6-11/h10-12H,4-9H2,1-3H3
InChIKeyUUFJTXBNCWILRO-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.00
Rot. Bonds5

About 8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane

8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 170083155) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is 8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID170083155
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Name8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)OCC(C)(F)CN1C2CCC1COC2
InChIInChI=1S/C13H24FNO2/c1-10(2)17-9-13(3,14)8-15-11-4-5-12(15)7-16-6-11/h10-12H,4-9H2,1-3H3
InChIKeyUUFJTXBNCWILRO-UHFFFAOYSA-N
XLogP2.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 170083155) is 8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane is CC(C)OCC(C)(F)CN1C2CCC1COC2.
What is the InChIKey of 8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is UUFJTXBNCWILRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-10(2)17-9-13(3,14)8-15-11-4-5-12(15)7-16-6-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 245.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170083155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).