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

C15H23F2O4P — CID 59944036

IUPAC(4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCCCCC(F)(F)C(=O)CC[C@H]1C(OP)CC2OC(=O)CC21
InChIInChI=1S/C15H23F2O4P/c1-2-3-6-15(16,17)13(18)5-4-9-10-7-14(19)20-11(10)8-12(9)21-22/h9-12H,2-8,22H2,1H3/t9-,10?,11?,12?/m1/s1
InChIKeyAIPLLZCGHHQBHQ-QBWABLMJSA-N
MW336.32 g/mol
LogP3.29
Rot. Bonds8

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

(4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 59944036) has the molecular formula C15H23F2O4P and a molecular weight of 336.32 g/mol. Its IUPAC name is (4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID59944036
Molecular FormulaC15H23F2O4P
Molecular Weight336.32 g/mol
Exact Mass336.13
IUPAC Name(4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCCCCC(F)(F)C(=O)CC[C@H]1C(OP)CC2OC(=O)CC21
InChIInChI=1S/C15H23F2O4P/c1-2-3-6-15(16,17)13(18)5-4-9-10-7-14(19)20-11(10)8-12(9)21-22/h9-12H,2-8,22H2,1H3/t9-,10?,11?,12?/m1/s1
InChIKeyAIPLLZCGHHQBHQ-QBWABLMJSA-N
XLogP3.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,4R,5R,6aS)-4-(4,4-difluoro-3-oxooctyl)-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-one
CID 15222216
(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
[(3aR,4S,5R,6aS)-4-(methoxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 11183771
(3aR,4S,5R,6aS)-Hexahydro-5-methoxy-4-(methoxymethyl)-2H-cyclopentafuran-2-one
CID 25020818
(1S,5R,6R,7R)-6-[4(RS)-fluoro-3-oxo-1-octyl]-7-hydroxy-2-oxabicyclo[3.3.0]octane-3-one
CID 14855204
[(3aR,4R,5R,6aS)-4-(5,5-difluoro-4-hydroxyoctyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 18652545
[4-Fluoro-1-(2-oxo-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium
CID 20672764
(1S,5R,6R,7R)-6-(4,4-difluoro-5-oxo-octyl)-7-tetrahydropyranyloxy-2-oxabicyclo[3.3.0]octan-3-one
CID 22842859
(4R)-4-(4,4-difluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59944039
(4R)-4-(4-fluoro-3-oxooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59963416
(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59963489

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 59944036) is (4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CCCCC(F)(F)C(=O)CC[C@H]1C(OP)CC2OC(=O)CC21.
What is the InChIKey of (4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is AIPLLZCGHHQBHQ-QBWABLMJSA-N. The full InChI is InChI=1S/C15H23F2O4P/c1-2-3-6-15(16,17)13(18)5-4-9-10-7-14(19)20-11(10)8-12(9)21-22/h9-12H,2-8,22H2,1H3/t9-,10?,11?,12?/m1/s1.
What are the key properties of (4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 336.32 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4,4-difluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 59944036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).