1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C13H16FN3O — CID 79521112

IUPAC1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCOCC2)N1c1ccccc1F
InChIInChI=1S/C13H16FN3O/c14-10-3-1-2-4-11(10)17-12(15)16-9-13(17)5-7-18-8-6-13/h1-4H,5-9H2,(H2,15,16)
InChIKeyWDESMNIQWMNEAR-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.51
Rot. Bonds1

About 1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79521112) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79521112
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCOCC2)N1c1ccccc1F
InChIInChI=1S/C13H16FN3O/c14-10-3-1-2-4-11(10)17-12(15)16-9-13(17)5-7-18-8-6-13/h1-4H,5-9H2,(H2,15,16)
InChIKeyWDESMNIQWMNEAR-UHFFFAOYSA-N
XLogP1.51
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505398
1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521544
1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520584
1-(2-fluorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521117
1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514648
1-(4-methylphenyl)-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79505471
5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79502661
1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504898
1-(2-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505128
1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79514881
1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79514020
5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565687

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79521112) is 1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCOCC2)N1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is WDESMNIQWMNEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-10-3-1-2-4-11(10)17-12(15)16-9-13(17)5-7-18-8-6-13/h1-4H,5-9H2,(H2,15,16).
What are the key properties of 1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 249.29 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79521112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).