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

C15H20FNO3 — CID 79904764

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
SMILESNc1ccc(F)cc1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H20FNO3/c16-11-1-2-13(17)14(9-11)20-12-3-6-19-15(10-12)4-7-18-8-5-15/h1-2,9,12H,3-8,10,17H2
InChIKeyWRRMHBNOHVRQQY-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.51
Rot. Bonds2

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

2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline (PubChem CID 79904764) 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)-4-fluoroaniline.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
PubChem CID79904764
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
SMILESNc1ccc(F)cc1OC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H20FNO3/c16-11-1-2-13(17)14(9-11)20-12-3-6-19-15(10-12)4-7-18-8-5-15/h1-2,9,12H,3-8,10,17H2
InChIKeyWRRMHBNOHVRQQY-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

4-[2-(bromomethyl)-4-fluorophenoxy]-1,9-dioxaspiro[5.5]undecane
CID 107699038
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine
CID 79900742
5-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904366
9-[2-(bromomethyl)-4-fluorophenoxy]-2,6-dioxaspiro[4.5]decane
CID 107699125
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline
CID 104831207
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-2,5-dimethylaniline
CID 79898685
4-amino-3-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79900845
4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 114672924
3-amino-4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)benzonitrile
CID 79898675
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521
2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline (CID 79904764) is 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline is Nc1ccc(F)cc1OC1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline?
The InChIKey is WRRMHBNOHVRQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-11-1-2-13(17)14(9-11)20-12-3-6-19-15(10-12)4-7-18-8-5-15/h1-2,9,12H,3-8,10,17H2.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline?
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-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)-4-fluoroaniline is sourced from PubChem (CID 79904764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).