3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane

C15H19F2NO — CID 62522508

IUPAC3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane
SMILESFc1ccc(C2CNC3(CCCCC3)CO2)cc1F
InChIInChI=1S/C15H19F2NO/c16-12-5-4-11(8-13(12)17)14-9-18-15(10-19-14)6-2-1-3-7-15/h4-5,8,14,18H,1-3,6-7,9-10H2
InChIKeyMHKNDLFWSGLVSP-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.33
Rot. Bonds1

About 3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane

3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 62522508) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane
PubChem CID62522508
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane
SMILESFc1ccc(C2CNC3(CCCCC3)CO2)cc1F
InChIInChI=1S/C15H19F2NO/c16-12-5-4-11(8-13(12)17)14-9-18-15(10-19-14)6-2-1-3-7-15/h4-5,8,14,18H,1-3,6-7,9-10H2
InChIKeyMHKNDLFWSGLVSP-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxa-1-azaspiro[5.5]undecane
CID 62521799
8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane
CID 55082335
8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane
CID 62517905
3-thiophen-3-yl-4-oxa-1-azaspiro[5.5]undecane
CID 62522333
3-(2,6-difluorophenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane
CID 62526290
3-[2-(difluoromethoxy)phenyl]-4-oxa-1-azaspiro[5.5]undecane
CID 62522154
2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine
CID 62914274
2-(3-chloro-4-fluorophenyl)-5,5-diethylmorpholine
CID 62518626
2-(3,4-difluorophenyl)-6-methyl-1,4-oxazepane
CID 65035224
3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane
CID 62526803
3-(2,6-difluorophenyl)-10-methyl-4-oxa-1-azaspiro[5.5]undecane
CID 62527697
(5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 95999831

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of 3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane (CID 62522508) is 3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane is Fc1ccc(C2CNC3(CCCCC3)CO2)cc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is MHKNDLFWSGLVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-12-5-4-11(8-13(12)17)14-9-18-15(10-19-14)6-2-1-3-7-15/h4-5,8,14,18H,1-3,6-7,9-10H2.
What are the key properties of 3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane?
3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 267.32 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 62522508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).