2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine

C11H20FNO2 — CID 112562754

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine
SMILESNCC(F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H20FNO2/c12-10(8-13)9-1-4-15-11(7-9)2-5-14-6-3-11/h9-10H,1-8,13H2
InChIKeyBTHXRLMKKMXYDV-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.26
Rot. Bonds2

About 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine

2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine (PubChem CID 112562754) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine
PubChem CID112562754
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine
SMILESNCC(F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H20FNO2/c12-10(8-13)9-1-4-15-11(7-9)2-5-14-6-3-11/h9-10H,1-8,13H2
InChIKeyBTHXRLMKKMXYDV-UHFFFAOYSA-N
XLogP1.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,9-Dioxaspiro[5.5]undecan-4-amine hydrochloride
CID 71756403
{1,9-Dioxaspiro[5.5]undecan-4-yl}methanamine hydrochloride
CID 134690888
1,9-Dioxaspiro[5.5]undecan-4-amine
CID 56737765
(1,9-Dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79905069
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine
CID 79915271
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4,4,4-trifluorobutan-1-amine
CID 79954615
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148028
3-(2,2-Difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 103148899
4-Fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
CID 103392477
4-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392491
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine
CID 103516890
3-Fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 104277008

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine (CID 112562754) is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine is NCC(F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine?
The InChIKey is BTHXRLMKKMXYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c12-10(8-13)9-1-4-15-11(7-9)2-5-14-6-3-11/h9-10H,1-8,13H2.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine?
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine has a molecular weight of 217.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoroethanamine is sourced from PubChem (CID 112562754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).