2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline

C13H17FN2 — CID 81311910

IUPAC2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline
SMILESNc1cccc(F)c1N1CC2(CCCC2)C1
InChIInChI=1S/C13H17FN2/c14-10-4-3-5-11(15)12(10)16-8-13(9-16)6-1-2-7-13/h3-5H,1-2,6-9,15H2
InChIKeyWXABTXCIQMXIQL-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.79
Rot. Bonds1

About 2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline

2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline (PubChem CID 81311910) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline.

Molecular Properties

Compound Name2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline
PubChem CID81311910
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline
SMILESNc1cccc(F)c1N1CC2(CCCC2)C1
InChIInChI=1S/C13H17FN2/c14-10-4-3-5-11(15)12(10)16-8-13(9-16)6-1-2-7-13/h3-5H,1-2,6-9,15H2
InChIKeyWXABTXCIQMXIQL-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline?
The IUPAC name of 2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline (CID 81311910) is 2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline.
What is the SMILES notation for 2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline?
The canonical SMILES for 2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline is Nc1cccc(F)c1N1CC2(CCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline?
The InChIKey is WXABTXCIQMXIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-10-4-3-5-11(15)12(10)16-8-13(9-16)6-1-2-7-13/h3-5H,1-2,6-9,15H2.
What are the key properties of 2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline?
2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline has a molecular weight of 220.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline is sourced from PubChem (CID 81311910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).