(6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione

C18H21FO3 — CID 141134314

IUPAC(6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione
SMILESO=C1CC(=O)O[C@@](CCc2cccc(F)c2)(C2CCCC2)C1
InChIInChI=1S/C18H21FO3/c19-15-7-3-4-13(10-15)8-9-18(14-5-1-2-6-14)12-16(20)11-17(21)22-18/h3-4,7,10,14H,1-2,5-6,8-9,11-12H2/t18-/m1/s1
InChIKeyBMCQPXGKRQUSOC-GOSISDBHSA-N
MW304.36 g/mol
LogP3.59
Rot. Bonds4

About (6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione

(6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione (PubChem CID 141134314) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is (6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione.

Molecular Properties

Compound Name(6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione
PubChem CID141134314
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name(6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione
SMILESO=C1CC(=O)O[C@@](CCc2cccc(F)c2)(C2CCCC2)C1
InChIInChI=1S/C18H21FO3/c19-15-7-3-4-13(10-15)8-9-18(14-5-1-2-6-14)12-16(20)11-17(21)22-18/h3-4,7,10,14H,1-2,5-6,8-9,11-12H2/t18-/m1/s1
InChIKeyBMCQPXGKRQUSOC-GOSISDBHSA-N
XLogP3.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-cyclopentyl-4,6-dioxooxan-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 58762776
4-[2-(2-cyclopentyl-6-methylidene-4-oxooxan-2-yl)ethyl]-N-ethyl-2-fluorobenzamide
CID 142935302
6-cyclopentyl-6-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]oxane-2,4-dione
CID 16728834
6-cyclopentyl-6-ethyloxane-2,4-dione;(2-methylphenyl)methanol
CID 142827997
6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]-3-(N-phenylanilino)oxane-2,4-dione
CID 10288650
3-[2-(3-fluorophenyl)ethyl]-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171962432
1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
6-[2-(3-fluorophenyl)ethyl]pyran-2,4-dione
CID 23450732
2-[2-(3-fluorophenyl)ethyl]-4-hydroxy-2-propan-2-yl-3H-pyran-6-one
CID 54677050
2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3H-pyran-6-one
CID 54689531
(2S)-2-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 90117469
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075

Frequently Asked Questions

What is the IUPAC name of (6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione?
The IUPAC name of (6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione (CID 141134314) is (6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione.
What is the SMILES notation for (6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione?
The canonical SMILES for (6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione is O=C1CC(=O)O[C@@](CCc2cccc(F)c2)(C2CCCC2)C1.
What is the InChIKey of (6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione?
The InChIKey is BMCQPXGKRQUSOC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21FO3/c19-15-7-3-4-13(10-15)8-9-18(14-5-1-2-6-14)12-16(20)11-17(21)22-18/h3-4,7,10,14H,1-2,5-6,8-9,11-12H2/t18-/m1/s1.
What are the key properties of (6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione?
(6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione has a molecular weight of 304.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-cyclopentyl-6-[2-(3-fluorophenyl)ethyl]oxane-2,4-dione is sourced from PubChem (CID 141134314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).