3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane

C13H14F3N — CID 112564653

IUPAC3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFc1cccc(F)c1C1(F)CC2CCC(C1)N2
InChIInChI=1S/C13H14F3N/c14-10-2-1-3-11(15)12(10)13(16)6-8-4-5-9(7-13)17-8/h1-3,8-9,17H,4-7H2
InChIKeyAJXULPXTFVOWTR-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.04
Rot. Bonds1

About 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane

3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 112564653) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID112564653
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFc1cccc(F)c1C1(F)CC2CCC(C1)N2
InChIInChI=1S/C13H14F3N/c14-10-2-1-3-11(15)12(10)13(16)6-8-4-5-9(7-13)17-8/h1-3,8-9,17H,4-7H2
InChIKeyAJXULPXTFVOWTR-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane (CID 112564653) is 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane is Fc1cccc(F)c1C1(F)CC2CCC(C1)N2.
What is the InChIKey of 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is AJXULPXTFVOWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c14-10-2-1-3-11(15)12(10)13(16)6-8-4-5-9(7-13)17-8/h1-3,8-9,17H,4-7H2.
What are the key properties of 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 241.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).