3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine

C12H20FNO2 — CID 112564030

IUPAC3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C12H20FNO2/c13-12(6-10(14)7-12)9-1-3-16-11(5-9)2-4-15-8-11/h9-10H,1-8,14H2
InChIKeySYIWLAOLDKUXIT-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.40
Rot. Bonds1

About 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine

3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine (PubChem CID 112564030) 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-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine
PubChem CID112564030
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C12H20FNO2/c13-12(6-10(14)7-12)9-1-3-16-11(5-9)2-4-15-8-11/h9-10H,1-8,14H2
InChIKeySYIWLAOLDKUXIT-UHFFFAOYSA-N
XLogP1.40
TPSA44.48 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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine
CID 79914929
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine
CID 79953297
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147980
3-(2,2-Difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103148835
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312176
4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392434
3-Fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 104276949
3-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-fluoropropan-1-amine
CID 104277145
(4,4-Difluorocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 105170368
2-[2,6-Dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443542
4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine
CID 112562373
4-Fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-amine
CID 112562523

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine (CID 112564030) is 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine is NC1CC(F)(C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine?
The InChIKey is SYIWLAOLDKUXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2/c13-12(6-10(14)7-12)9-1-3-16-11(5-9)2-4-15-8-11/h9-10H,1-8,14H2.
What are the key properties of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine?
3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine has a molecular weight of 229.29 g/mol, XLogP of 1.40, 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-fluorocyclobutan-1-amine is sourced from PubChem (CID 112564030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).