2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane

C16H21F2NO — CID 65123315

IUPAC2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane
SMILESFc1cccc(F)c1C1CNCC2(CCCCCC2)O1
InChIInChI=1S/C16H21F2NO/c17-12-6-5-7-13(18)15(12)14-10-19-11-16(20-14)8-3-1-2-4-9-16/h5-7,14,19H,1-4,8-11H2
InChIKeyMQWCMLVMEKGIDX-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.72
Rot. Bonds1

About 2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane

2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane (PubChem CID 65123315) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane
PubChem CID65123315
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane
SMILESFc1cccc(F)c1C1CNCC2(CCCCCC2)O1
InChIInChI=1S/C16H21F2NO/c17-12-6-5-7-13(18)15(12)14-10-19-11-16(20-14)8-3-1-2-4-9-16/h5-7,14,19H,1-4,8-11H2
InChIKeyMQWCMLVMEKGIDX-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane?
The IUPAC name of 2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane (CID 65123315) is 2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane is Fc1cccc(F)c1C1CNCC2(CCCCCC2)O1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane?
The InChIKey is MQWCMLVMEKGIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c17-12-6-5-7-13(18)15(12)14-10-19-11-16(20-14)8-3-1-2-4-9-16/h5-7,14,19H,1-4,8-11H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane?
2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane has a molecular weight of 281.35 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane is sourced from PubChem (CID 65123315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).