3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine

C12H20FNO2 — CID 112564317

IUPAC3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine
SMILESFC1(C2CCOC3(CCOC3)C2)CCNC1
InChIInChI=1S/C12H20FNO2/c13-12(2-4-14-8-12)10-1-5-16-11(7-10)3-6-15-9-11/h10,14H,1-9H2
InChIKeyVRFNPRGZFXTADD-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.27
Rot. Bonds1

About 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine

3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine (PubChem CID 112564317) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine
PubChem CID112564317
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine
SMILESFC1(C2CCOC3(CCOC3)C2)CCNC1
InChIInChI=1S/C12H20FNO2/c13-12(2-4-14-8-12)10-1-5-16-11(7-10)3-6-15-9-11/h10,14H,1-9H2
InChIKeyVRFNPRGZFXTADD-UHFFFAOYSA-N
XLogP1.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)piperidine
CID 112563277
3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-3-ol
CID 79902057
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
9-(3-bromo-1-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
CID 116540544
4-(5-oxaspiro[3.5]nonan-8-yl)azepan-4-ol
CID 103982956
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile
CID 114277383
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 80561361
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethylazepane
CID 79911719

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine?
The IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine (CID 112564317) is 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine.
What is the SMILES notation for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine?
The canonical SMILES for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine is FC1(C2CCOC3(CCOC3)C2)CCNC1.
What is the InChIKey of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine?
The InChIKey is VRFNPRGZFXTADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2/c13-12(2-4-14-8-12)10-1-5-16-11(7-10)3-6-15-9-11/h10,14H,1-9H2.
What are the key properties of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine?
3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine has a molecular weight of 229.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine is sourced from PubChem (CID 112564317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).