7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane

C15H19F2NO — CID 163218709

IUPAC7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane
SMILESCOc1cc(F)cc(C2CCC3(CC2)CNC3)c1F
InChIInChI=1S/C15H19F2NO/c1-19-13-7-11(16)6-12(14(13)17)10-2-4-15(5-3-10)8-18-9-15/h6-7,10,18H,2-5,8-9H2,1H3
InChIKeySMWNSSSPEJOQNA-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.22
Rot. Bonds2

About 7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane

7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane (PubChem CID 163218709) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane
PubChem CID163218709
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane
SMILESCOc1cc(F)cc(C2CCC3(CC2)CNC3)c1F
InChIInChI=1S/C15H19F2NO/c1-19-13-7-11(16)6-12(14(13)17)10-2-4-15(5-3-10)8-18-9-15/h6-7,10,18H,2-5,8-9H2,1H3
InChIKeySMWNSSSPEJOQNA-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane?
The IUPAC name of 7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane (CID 163218709) is 7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane is COc1cc(F)cc(C2CCC3(CC2)CNC3)c1F.
What is the InChIKey of 7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane?
The InChIKey is SMWNSSSPEJOQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-19-13-7-11(16)6-12(14(13)17)10-2-4-15(5-3-10)8-18-9-15/h6-7,10,18H,2-5,8-9H2,1H3.
What are the key properties of 7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane?
7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane has a molecular weight of 267.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-difluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 163218709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).