8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

C15H19F2NO — CID 126483093

IUPAC8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(CN2CCC3(CCCO3)CC2)cc1F
InChIInChI=1S/C15H19F2NO/c16-13-3-2-12(10-14(13)17)11-18-7-5-15(6-8-18)4-1-9-19-15/h2-3,10H,1,4-9,11H2
InChIKeyQXXDSCOZEYBVJF-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.11
Rot. Bonds2

About 8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 126483093) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID126483093
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(CN2CCC3(CCCO3)CC2)cc1F
InChIInChI=1S/C15H19F2NO/c16-13-3-2-12(10-14(13)17)11-18-7-5-15(6-8-18)4-1-9-19-15/h2-3,10H,1,4-9,11H2
InChIKeyQXXDSCOZEYBVJF-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 126483093) is 8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is Fc1ccc(CN2CCC3(CCCO3)CC2)cc1F.
What is the InChIKey of 8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QXXDSCOZEYBVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-13-3-2-12(10-14(13)17)11-18-7-5-15(6-8-18)4-1-9-19-15/h2-3,10H,1,4-9,11H2.
What are the key properties of 8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 267.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 126483093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).