1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione

C11H10F5NO5 — CID 161467431

IUPAC1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione
SMILESO=C1CC(=O)N([C@@H]2O[C@@](CO)(C(F)F)C(F)(F)[C@H]2O)C=C1F
InChIInChI=1S/C11H10F5NO5/c12-4-2-17(6(20)1-5(4)19)8-7(21)11(15,16)10(3-18,22-8)9(13)14/h2,7-9,18,21H,1,3H2/t7-,8+,10-/m0/s1
InChIKeyWCPYNGPQNRRXJB-XKSSXDPKSA-N
MW331.19 g/mol
LogP-0.05
Rot. Bonds3

About 1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione

1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione (PubChem CID 161467431) has the molecular formula C11H10F5NO5 and a molecular weight of 331.19 g/mol. Its IUPAC name is 1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione
PubChem CID161467431
Molecular FormulaC11H10F5NO5
Molecular Weight331.19 g/mol
Exact Mass331.05
IUPAC Name1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione
SMILESO=C1CC(=O)N([C@@H]2O[C@@](CO)(C(F)F)C(F)(F)[C@H]2O)C=C1F
InChIInChI=1S/C11H10F5NO5/c12-4-2-17(6(20)1-5(4)19)8-7(21)11(15,16)10(3-18,22-8)9(13)14/h2,7-9,18,21H,1,3H2/t7-,8+,10-/m0/s1
InChIKeyWCPYNGPQNRRXJB-XKSSXDPKSA-N
XLogP-0.05
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione?
The IUPAC name of 1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione (CID 161467431) is 1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione is O=C1CC(=O)N([C@@H]2O[C@@](CO)(C(F)F)C(F)(F)[C@H]2O)C=C1F.
What is the InChIKey of 1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione?
The InChIKey is WCPYNGPQNRRXJB-XKSSXDPKSA-N. The full InChI is InChI=1S/C11H10F5NO5/c12-4-2-17(6(20)1-5(4)19)8-7(21)11(15,16)10(3-18,22-8)9(13)14/h2,7-9,18,21H,1,3H2/t7-,8+,10-/m0/s1.
What are the key properties of 1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione?
1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione has a molecular weight of 331.19 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5S)-5-(difluoromethyl)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyridine-2,4-dione is sourced from PubChem (CID 161467431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).