3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C11H21FN2 — CID 170689580

IUPAC3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CN(CCF)C2
InChIInChI=1S/C11H21FN2/c1-9(2)14-10-3-4-11(14)8-13(7-10)6-5-12/h9-11H,3-8H2,1-2H3
InChIKeyUUDYFQZTMGBRQG-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.51
Rot. Bonds3

About 3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 170689580) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID170689580
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CN(CCF)C2
InChIInChI=1S/C11H21FN2/c1-9(2)14-10-3-4-11(14)8-13(7-10)6-5-12/h9-11H,3-8H2,1-2H3
InChIKeyUUDYFQZTMGBRQG-UHFFFAOYSA-N
XLogP1.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 170689580) is 3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1C2CCC1CN(CCF)C2.
What is the InChIKey of 3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is UUDYFQZTMGBRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-9(2)14-10-3-4-11(14)8-13(7-10)6-5-12/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 200.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 170689580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).