2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C11H18FNO2 — CID 80695443

IUPAC2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2CCF
InChIInChI=1S/C11H18FNO2/c12-3-4-13-9-1-2-10(13)6-8(5-9)7-11(14)15/h8-10H,1-7H2,(H,14,15)
InChIKeySXBOETZUOCYSTF-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.67
Rot. Bonds4

About 2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 80695443) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID80695443
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2CCF
InChIInChI=1S/C11H18FNO2/c12-3-4-13-9-1-2-10(13)6-8(5-9)7-11(14)15/h8-10H,1-7H2,(H,14,15)
InChIKeySXBOETZUOCYSTF-UHFFFAOYSA-N
XLogP1.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 80695443) is 2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2CCF.
What is the InChIKey of 2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is SXBOETZUOCYSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c12-3-4-13-9-1-2-10(13)6-8(5-9)7-11(14)15/h8-10H,1-7H2,(H,14,15).
What are the key properties of 2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 215.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 80695443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).