1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione

C10H13F3N2O4 — CID 10379018

IUPAC1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N([C@@H]2CC[C@](CO)(C(F)F)O2)CC1F
InChIInChI=1S/C10H13F3N2O4/c11-5-3-15(9(18)14-7(5)17)6-1-2-10(4-16,19-6)8(12)13/h5-6,8,16H,1-4H2,(H,14,17,18)/t5?,6-,10-/m0/s1
InChIKeyYVUZRUMHQYMLJL-GLVFONBDSA-N
MW282.22 g/mol
LogP0.01
Rot. Bonds3

About 1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione

1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione (PubChem CID 10379018) has the molecular formula C10H13F3N2O4 and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione
PubChem CID10379018
Molecular FormulaC10H13F3N2O4
Molecular Weight282.22 g/mol
Exact Mass282.08
IUPAC Name1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N([C@@H]2CC[C@](CO)(C(F)F)O2)CC1F
InChIInChI=1S/C10H13F3N2O4/c11-5-3-15(9(18)14-7(5)17)6-1-2-10(4-16,19-6)8(12)13/h5-6,8,16H,1-4H2,(H,14,17,18)/t5?,6-,10-/m0/s1
InChIKeyYVUZRUMHQYMLJL-GLVFONBDSA-N
XLogP0.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-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-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione (CID 10379018) is 1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione is O=C1NC(=O)N([C@@H]2CC[C@](CO)(C(F)F)O2)CC1F.
What is the InChIKey of 1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione?
The InChIKey is YVUZRUMHQYMLJL-GLVFONBDSA-N. The full InChI is InChI=1S/C10H13F3N2O4/c11-5-3-15(9(18)14-7(5)17)6-1-2-10(4-16,19-6)8(12)13/h5-6,8,16H,1-4H2,(H,14,17,18)/t5?,6-,10-/m0/s1.
What are the key properties of 1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione?
1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione has a molecular weight of 282.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10379018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).