(1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

C11H16FNO2 — CID 11252855

IUPAC(1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
SMILESO=C(O)C1=CC[C@H]2CC[C@@H]1N2CCCF
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)/t8-,10-/m0/s1
InChIKeyINGBOJZDUPCRRB-WPRPVWTQSA-N
MW213.25 g/mol
LogP1.59
Rot. Bonds4

About (1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

(1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid (PubChem CID 11252855) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is (1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
PubChem CID11252855
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name(1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
SMILESO=C(O)C1=CC[C@H]2CC[C@@H]1N2CCCF
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)/t8-,10-/m0/s1
InChIKeyINGBOJZDUPCRRB-WPRPVWTQSA-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 (1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
The IUPAC name of (1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid (CID 11252855) is (1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid.
What is the SMILES notation for (1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
The canonical SMILES for (1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid is O=C(O)C1=CC[C@H]2CC[C@@H]1N2CCCF.
What is the InChIKey of (1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
The InChIKey is INGBOJZDUPCRRB-WPRPVWTQSA-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)/t8-,10-/m0/s1.
What are the key properties of (1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
(1S,5R)-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 (1S,5R)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid is sourced from PubChem (CID 11252855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).