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

C12H22FNO2 — CID 112566001

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H22FNO2/c1-2-12(13,8-14)10-3-5-16-11(7-10)4-6-15-9-11/h10H,2-9,14H2,1H3
InChIKeyWYXXJOQFCBOJSF-UHFFFAOYSA-N
MW231.31 g/mol
LogP1.65
Rot. Bonds3

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

2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine (PubChem CID 112566001) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine
PubChem CID112566001
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H22FNO2/c1-2-12(13,8-14)10-3-5-16-11(7-10)4-6-15-9-11/h10H,2-9,14H2,1H3
InChIKeyWYXXJOQFCBOJSF-UHFFFAOYSA-N
XLogP1.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 51.65
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
4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392434
4-Fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
CID 103392686
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-[Fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine
CID 107443837
2-[1,9-Dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443839
4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine
CID 112562373
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-Fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 112565045

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine (CID 112566001) is 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine is CCC(F)(CN)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine?
The InChIKey is WYXXJOQFCBOJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-2-12(13,8-14)10-3-5-16-11(7-10)4-6-15-9-11/h10H,2-9,14H2,1H3.
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine?
2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluorobutan-1-amine has a molecular weight of 231.31 g/mol, XLogP of 1.65, 3 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-fluorobutan-1-amine is sourced from PubChem (CID 112566001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).