6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane

C13H23FN2 — CID 177005819

IUPAC6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane
SMILESCCN1CCC2(CCC2N2CCC(F)C2)C1
InChIInChI=1S/C13H23FN2/c1-2-15-8-6-13(10-15)5-3-12(13)16-7-4-11(14)9-16/h11-12H,2-10H2,1H3
InChIKeyHVNSYXQIYRTUFZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.90
Rot. Bonds2

About 6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane

6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane (PubChem CID 177005819) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is 6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane
PubChem CID177005819
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Name6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane
SMILESCCN1CCC2(CCC2N2CCC(F)C2)C1
InChIInChI=1S/C13H23FN2/c1-2-15-8-6-13(10-15)5-3-12(13)16-7-4-11(14)9-16/h11-12H,2-10H2,1H3
InChIKeyHVNSYXQIYRTUFZ-UHFFFAOYSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane?
The IUPAC name of 6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane (CID 177005819) is 6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane?
The canonical SMILES for 6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane is CCN1CCC2(CCC2N2CCC(F)C2)C1.
What is the InChIKey of 6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane?
The InChIKey is HVNSYXQIYRTUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2/c1-2-15-8-6-13(10-15)5-3-12(13)16-7-4-11(14)9-16/h11-12H,2-10H2,1H3.
What are the key properties of 6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane?
6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane has a molecular weight of 226.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 177005819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).