8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H19F2NO2 — CID 52680462

IUPAC8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC[C@@H](c1c(F)cccc1F)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19F2NO2/c1-11(14-12(16)3-2-4-13(14)17)18-7-5-15(6-8-18)19-9-10-20-15/h2-4,11H,5-10H2,1H3/t11-/m0/s1
InChIKeyILNVGNPLGLUTQO-NSHDSACASA-N
MW283.32 g/mol
LogP2.86
Rot. Bonds2

About 8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 52680462) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID52680462
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC[C@@H](c1c(F)cccc1F)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19F2NO2/c1-11(14-12(16)3-2-4-13(14)17)18-7-5-15(6-8-18)19-9-10-20-15/h2-4,11H,5-10H2,1H3/t11-/m0/s1
InChIKeyILNVGNPLGLUTQO-NSHDSACASA-N
XLogP2.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 52680462) is 8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is C[C@@H](c1c(F)cccc1F)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ILNVGNPLGLUTQO-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-11(14-12(16)3-2-4-13(14)17)18-7-5-15(6-8-18)19-9-10-20-15/h2-4,11H,5-10H2,1H3/t11-/m0/s1.
What are the key properties of 8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 283.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 52680462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).