8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

C11H16FNO2 — CID 70194036

IUPAC8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
SMILESO=C(O)C1=CCC2CCC1N2CCCF
InChIInChI=1S/C11H16FNO2/c12-6-1-7-13-8-2-4-9(11(14)15)10(13)5-3-8/h4,8,10H,1-3,5-7H2,(H,14,15)
InChIKeyINGBOJZDUPCRRB-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.59
Rot. Bonds4

About 8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid (PubChem CID 70194036) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
PubChem CID70194036
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
SMILESO=C(O)C1=CCC2CCC1N2CCCF
InChIInChI=1S/C11H16FNO2/c12-6-1-7-13-8-2-4-9(11(14)15)10(13)5-3-8/h4,8,10H,1-3,5-7H2,(H,14,15)
InChIKeyINGBOJZDUPCRRB-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
The IUPAC name of 8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid (CID 70194036) is 8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid.
What is the SMILES notation for 8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
The canonical SMILES for 8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid is O=C(O)C1=CCC2CCC1N2CCCF.
What is the InChIKey of 8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
The InChIKey is INGBOJZDUPCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c12-6-1-7-13-8-2-4-9(11(14)15)10(13)5-3-8/h4,8,10H,1-3,5-7H2,(H,14,15).
What are the key properties of 8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid has a molecular weight of 213.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid is sourced from PubChem (CID 70194036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).