2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one

C18H23FO2 — CID 79909150

IUPAC2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
SMILESCC(C)(C(=O)C1CCOC2(CCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H23FO2/c1-17(2,14-4-6-15(19)7-5-14)16(20)13-8-11-21-18(12-13)9-3-10-18/h4-7,13H,3,8-12H2,1-2H3
InChIKeyCYAFMUDRNUERMG-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.02
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one

2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one (PubChem CID 79909150) has the molecular formula C18H23FO2 and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
PubChem CID79909150
Molecular FormulaC18H23FO2
Molecular Weight290.38 g/mol
Exact Mass290.17
IUPAC Name2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
SMILESCC(C)(C(=O)C1CCOC2(CCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H23FO2/c1-17(2,14-4-6-15(19)7-5-14)16(20)13-8-11-21-18(12-13)9-3-10-18/h4-7,13H,3,8-12H2,1-2H3
InChIKeyCYAFMUDRNUERMG-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 82931291
2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one
CID 79921640
(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79921615
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79912433
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
(2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783977
2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 103446684
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79912683
3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116599992
2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116746985

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one (CID 79909150) is 2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one is CC(C)(C(=O)C1CCOC2(CCC2)C1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one?
The InChIKey is CYAFMUDRNUERMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FO2/c1-17(2,14-4-6-15(19)7-5-14)16(20)13-8-11-21-18(12-13)9-3-10-18/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one?
2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one has a molecular weight of 290.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one is sourced from PubChem (CID 79909150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).