3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine

C12H20FNO — CID 112564432

IUPAC3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
SMILESFC1(C2CCOC3(CCC3)C2)CCNC1
InChIInChI=1S/C12H20FNO/c13-12(5-6-14-9-12)10-2-7-15-11(8-10)3-1-4-11/h10,14H,1-9H2
InChIKeyQGFDEAQXMJQLAX-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.04
Rot. Bonds1

About 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine

3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine (PubChem CID 112564432) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
PubChem CID112564432
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
SMILESFC1(C2CCOC3(CCC3)C2)CCNC1
InChIInChI=1S/C12H20FNO/c13-12(5-6-14-9-12)10-2-7-15-11(8-10)3-1-4-11/h10,14H,1-9H2
InChIKeyQGFDEAQXMJQLAX-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine?
The IUPAC name of 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine (CID 112564432) is 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine is FC1(C2CCOC3(CCC3)C2)CCNC1.
What is the InChIKey of 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine?
The InChIKey is QGFDEAQXMJQLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c13-12(5-6-14-9-12)10-2-7-15-11(8-10)3-1-4-11/h10,14H,1-9H2.
What are the key properties of 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine?
3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine has a molecular weight of 213.30 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine is sourced from PubChem (CID 112564432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).