3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine

C13H22FNO — CID 112564378

IUPAC3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine
SMILESFC1(C2CCOC3(CCCC3)C2)CCNC1
InChIInChI=1S/C13H22FNO/c14-13(6-7-15-10-13)11-3-8-16-12(9-11)4-1-2-5-12/h11,15H,1-10H2
InChIKeyRVOPYXIPHGVLME-UHFFFAOYSA-N
MW227.32 g/mol
LogP2.43
Rot. Bonds1

About 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine

3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine (PubChem CID 112564378) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine
PubChem CID112564378
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine
SMILESFC1(C2CCOC3(CCCC3)C2)CCNC1
InChIInChI=1S/C13H22FNO/c14-13(6-7-15-10-13)11-3-8-16-12(9-11)4-1-2-5-12/h11,15H,1-10H2
InChIKeyRVOPYXIPHGVLME-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine?
The IUPAC name of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine (CID 112564378) is 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine is FC1(C2CCOC3(CCCC3)C2)CCNC1.
What is the InChIKey of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine?
The InChIKey is RVOPYXIPHGVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c14-13(6-7-15-10-13)11-3-8-16-12(9-11)4-1-2-5-12/h11,15H,1-10H2.
What are the key properties of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine?
3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine has a molecular weight of 227.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine is sourced from PubChem (CID 112564378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).