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

C12H20FNO — CID 112563516

IUPAC3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine
SMILESFC1(C2CCOC3(CCCC3)C2)CNC1
InChIInChI=1S/C12H20FNO/c13-12(8-14-9-12)10-3-6-15-11(7-10)4-1-2-5-11/h10,14H,1-9H2
InChIKeyKHQHIWJCORABAT-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.04
Rot. Bonds1

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

3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine (PubChem CID 112563516) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine
PubChem CID112563516
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine
SMILESFC1(C2CCOC3(CCCC3)C2)CNC1
InChIInChI=1S/C12H20FNO/c13-12(8-14-9-12)10-3-6-15-11(7-10)4-1-2-5-11/h10,14H,1-9H2
InChIKeyKHQHIWJCORABAT-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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Related Compounds

3-Fluoro-3-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 112562976
3-Fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine
CID 112563338
3-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine
CID 112563431
3-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine
CID 112563558
3-Fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine
CID 112563581
3-Fluoro-3-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine
CID 112564378
3-Fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
CID 112564432
2-Fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 112565181
2-Fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 112566080
2-Fluoro-3-methyl-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 112566929
2-Fluoro-2-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
CID 112567864
3-Cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine
CID 112571371

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine?
The IUPAC name of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine (CID 112563516) is 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine.
What is the SMILES notation for 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine?
The canonical SMILES for 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine is FC1(C2CCOC3(CCCC3)C2)CNC1.
What is the InChIKey of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine?
The InChIKey is KHQHIWJCORABAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c13-12(8-14-9-12)10-3-6-15-11(7-10)4-1-2-5-11/h10,14H,1-9H2.
What are the key properties of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine?
3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)azetidine 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-(6-oxaspiro[4.5]decan-9-yl)azetidine is sourced from PubChem (CID 112563516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).