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

C10H18FNO2 — CID 112562656

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine
SMILESNCC(F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C10H18FNO2/c11-9(6-12)8-1-3-14-10(5-8)2-4-13-7-10/h8-9H,1-7,12H2
InChIKeyZFASBCFDKRLZSG-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.87
Rot. Bonds2

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

2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine (PubChem CID 112562656) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine
PubChem CID112562656
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine
SMILESNCC(F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C10H18FNO2/c11-9(6-12)8-1-3-14-10(5-8)2-4-13-7-10/h8-9H,1-7,12H2
InChIKeyZFASBCFDKRLZSG-UHFFFAOYSA-N
XLogP0.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.87
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
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine
CID 103516936
3-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-fluoropropan-1-amine
CID 104277145
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine
CID 105016984
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
2-Fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 112562717

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine (CID 112562656) is 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine is NCC(F)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine?
The InChIKey is ZFASBCFDKRLZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c11-9(6-12)8-1-3-14-10(5-8)2-4-13-7-10/h8-9H,1-7,12H2.
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine?
2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoroethanamine has a molecular weight of 203.26 g/mol, XLogP of 0.87, 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-fluoroethanamine is sourced from PubChem (CID 112562656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).