3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

C17H24FNO — CID 67986667

IUPAC3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)CC(c1ccc(F)cc1)CO2
InChIInChI=1S/C17H24FNO/c1-13(2)19-9-7-17(8-10-19)11-15(12-20-17)14-3-5-16(18)6-4-14/h3-6,13,15H,7-12H2,1-2H3
InChIKeyANMFZYOXUHFRGK-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.57
Rot. Bonds2

About 3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane

3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 67986667) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID67986667
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)CC(c1ccc(F)cc1)CO2
InChIInChI=1S/C17H24FNO/c1-13(2)19-9-7-17(8-10-19)11-15(12-20-17)14-3-5-16(18)6-4-14/h3-6,13,15H,7-12H2,1-2H3
InChIKeyANMFZYOXUHFRGK-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane (CID 67986667) is 3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is CC(C)N1CCC2(CC1)CC(c1ccc(F)cc1)CO2.
What is the InChIKey of 3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ANMFZYOXUHFRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13(2)19-9-7-17(8-10-19)11-15(12-20-17)14-3-5-16(18)6-4-14/h3-6,13,15H,7-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane?
3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 277.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 67986667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).