2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline

C15H20FNO3 — CID 104831207

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline
SMILESNc1cccc(F)c1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H20FNO3/c16-12-2-1-3-13(17)14(12)20-11-4-7-19-15(10-11)5-8-18-9-6-15/h1-3,11H,4-10,17H2
InChIKeyYLAULCSVPCZKRX-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.51
Rot. Bonds2

About 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline

2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline (PubChem CID 104831207) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline
PubChem CID104831207
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline
SMILESNc1cccc(F)c1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H20FNO3/c16-12-2-1-3-13(17)14(12)20-11-4-7-19-15(10-11)5-8-18-9-6-15/h1-3,11H,4-10,17H2
InChIKeyYLAULCSVPCZKRX-UHFFFAOYSA-N
XLogP2.51
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 104831304
3-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 104831308
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 114672924
5-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904366
[3-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79899075
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-fluorobenzenecarbothioamide
CID 79901370
2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383
4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-2,5-dimethylaniline
CID 79898685
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
CID 115957697
[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol
CID 107690992

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline (CID 104831207) is 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline is Nc1cccc(F)c1OC1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline?
The InChIKey is YLAULCSVPCZKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-12-2-1-3-13(17)14(12)20-11-4-7-19-15(10-11)5-8-18-9-6-15/h1-3,11H,4-10,17H2.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline?
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline has a molecular weight of 281.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline is sourced from PubChem (CID 104831207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).