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

C14H26FNO2 — CID 112566530

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H26FNO2/c1-12(2,3)14(15,9-16)11-4-6-18-13(8-11)5-7-17-10-13/h11H,4-10,16H2,1-3H3
InChIKeySYIZHBOIAXSQKO-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.29
Rot. Bonds2

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

2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine (PubChem CID 112566530) has the molecular formula C14H26FNO2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine
PubChem CID112566530
Molecular FormulaC14H26FNO2
Molecular Weight259.36 g/mol
Exact Mass259.19
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H26FNO2/c1-12(2,3)14(15,9-16)11-4-6-18-13(8-11)5-7-17-10-13/h11H,4-10,16H2,1-3H3
InChIKeySYIZHBOIAXSQKO-UHFFFAOYSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392434
3-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-fluoropropan-1-amine
CID 104277145
2-[2,6-Dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443542
2-(2,6-Dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine
CID 112562656
3-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-fluorocyclobutan-1-amine
CID 112564030
2-(2,6-Dioxaspiro[4.5]decan-9-yl)-2-fluoropropan-1-amine
CID 112565121
2-Fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 112565181
2-(1,9-Dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine
CID 112565220
2-(2,6-Dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine
CID 112566001
2-Fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 112566080
2-(1,9-Dioxaspiro[5.5]undecan-4-yl)-2-fluorobutan-1-amine
CID 112566121
2-Fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 112566439

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine (CID 112566530) is 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine is CC(C)(C)C(F)(CN)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The InChIKey is SYIZHBOIAXSQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO2/c1-12(2,3)14(15,9-16)11-4-6-18-13(8-11)5-7-17-10-13/h11H,4-10,16H2,1-3H3.
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoro-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 112566530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).