(4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C15H23FO4 — CID 59963416

IUPAC(4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCCCCC(F)C(=O)CC[C@H]1C(O)CC2OC(=O)CC21
InChIInChI=1S/C15H23FO4/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(19)20-14(10)8-13(9)18/h9-11,13-14,18H,2-8H2,1H3/t9-,10?,11?,13?,14?/m1/s1
InChIKeyGFBATSSVWNLOAR-BGVXAPIFSA-N
MW286.34 g/mol
LogP2.18
Rot. Bonds7

About (4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 59963416) has the molecular formula C15H23FO4 and a molecular weight of 286.34 g/mol. Its IUPAC name is (4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID59963416
Molecular FormulaC15H23FO4
Molecular Weight286.34 g/mol
Exact Mass286.16
IUPAC Name(4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCCCCC(F)C(=O)CC[C@H]1C(O)CC2OC(=O)CC21
InChIInChI=1S/C15H23FO4/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(19)20-14(10)8-13(9)18/h9-11,13-14,18H,2-8H2,1H3/t9-,10?,11?,13?,14?/m1/s1
InChIKeyGFBATSSVWNLOAR-BGVXAPIFSA-N
XLogP2.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Related Compounds

(3aR,4S,5R,6aS)-(-)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
CID 2724453
(3aS,4R,5S,6aR)-5-hydroxy-4,5-dimethyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 86294723
(3aR,4R,5S,6aS)-4-(hydroxymethyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11298203
Pestalotiolactone A
CID 132496982
Myrotheciumone A
CID 139585840
Gelsemiol
CID 10375526
Pestalotiolactone C
CID 146683066
Pestalotiolactone D
CID 146683067
(3aR,4R,5R,6aS)-4-Fluoromethyl-hexahydro-5-methoxy-2H-cyclopentafuran-2-one
CID 25020820
((3aR,4S,5R,6aS)-5-Acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate
CID 363762
(+)-Corey lactone
CID 11084331
(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl acetate
CID 10889249

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 59963416) is (4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CCCCC(F)C(=O)CC[C@H]1C(O)CC2OC(=O)CC21.
What is the InChIKey of (4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is GFBATSSVWNLOAR-BGVXAPIFSA-N. The full InChI is InChI=1S/C15H23FO4/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(19)20-14(10)8-13(9)18/h9-11,13-14,18H,2-8H2,1H3/t9-,10?,11?,13?,14?/m1/s1.
What are the key properties of (4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 286.34 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 59963416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).