9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one

C14H15FO2 — CID 54157343

IUPAC9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one
SMILESO=C1COC2(CCCC2c2ccc(F)cc2)C1
InChIInChI=1S/C14H15FO2/c15-11-5-3-10(4-6-11)13-2-1-7-14(13)8-12(16)9-17-14/h3-6,13H,1-2,7-9H2
InChIKeyOLZUYGVGQHQEPV-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.82
Rot. Bonds1

About 9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one

9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one (PubChem CID 54157343) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one
PubChem CID54157343
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one
SMILESO=C1COC2(CCCC2c2ccc(F)cc2)C1
InChIInChI=1S/C14H15FO2/c15-11-5-3-10(4-6-11)13-2-1-7-14(13)8-12(16)9-17-14/h3-6,13H,1-2,7-9H2
InChIKeyOLZUYGVGQHQEPV-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyloxolan-3-one
CID 57856708
3-(4-Fluorobenzyl)tetrahydrofuran-2,4-dione
CID 129742130
4-Phenyldihydrofuran-2,3-dione
CID 10103675
3-[3-(4-Fluorophenyl)propyl]tetrahydrofuran-2,4-dione
CID 129742576
5-(2-Phenylethyl)oxolan-3-one
CID 135080332
4-[(4-Fluorophenyl)methyl]-2,2-dimethyloxolan-3-one
CID 19375883
4-[(4-Fluorophenyl)methyl]-2-methyloxolan-3-one
CID 19375890
3-(2-Fluorophenyl)oxolane-2,4-dione
CID 53683548
3-(3,5-Difluorophenyl)oxolane-2,4-dione
CID 53825721
3-(4-Fluorophenyl)oxolane-2,4-dione
CID 53899370
3-(2,5-Difluorophenyl)oxolane-2,4-dione
CID 54117331
3-(2,3-Difluorophenyl)oxolane-2,4-dione
CID 54121504

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one?
The IUPAC name of 9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one (CID 54157343) is 9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one.
What is the SMILES notation for 9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one?
The canonical SMILES for 9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one is O=C1COC2(CCCC2c2ccc(F)cc2)C1.
What is the InChIKey of 9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one?
The InChIKey is OLZUYGVGQHQEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c15-11-5-3-10(4-6-11)13-2-1-7-14(13)8-12(16)9-17-14/h3-6,13H,1-2,7-9H2.
What are the key properties of 9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one?
9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one has a molecular weight of 234.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-1-oxaspiro[4.4]nonan-3-one is sourced from PubChem (CID 54157343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).