2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane

C17H24FNO — CID 115996216

IUPAC2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane
SMILESCC1NCC2(CCCCCC2)OC1c1ccccc1F
InChIInChI=1S/C17H24FNO/c1-13-16(14-8-4-5-9-15(14)18)20-17(12-19-13)10-6-2-3-7-11-17/h4-5,8-9,13,16,19H,2-3,6-7,10-12H2,1H3
InChIKeyDXXUUDPRQFGAKC-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.97
Rot. Bonds1

About 2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane

2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane (PubChem CID 115996216) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane
PubChem CID115996216
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane
SMILESCC1NCC2(CCCCCC2)OC1c1ccccc1F
InChIInChI=1S/C17H24FNO/c1-13-16(14-8-4-5-9-15(14)18)20-17(12-19-13)10-6-2-3-7-11-17/h4-5,8-9,13,16,19H,2-3,6-7,10-12H2,1H3
InChIKeyDXXUUDPRQFGAKC-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane?
The IUPAC name of 2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane (CID 115996216) is 2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane.
What is the SMILES notation for 2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane?
The canonical SMILES for 2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane is CC1NCC2(CCCCCC2)OC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane?
The InChIKey is DXXUUDPRQFGAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13-16(14-8-4-5-9-15(14)18)20-17(12-19-13)10-6-2-3-7-11-17/h4-5,8-9,13,16,19H,2-3,6-7,10-12H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane?
2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane has a molecular weight of 277.38 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane is sourced from PubChem (CID 115996216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).