1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione

C9H13FN2O5 — CID 73399420

IUPAC1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione
SMILESCC1OC(N2CC(F)C(=O)NC2=O)C(O)C1O
InChIInChI=1S/C9H13FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h3-6,8,13-14H,2H2,1H3,(H,11,15,16)
InChIKeyJFQFXUWDYOIAFF-UHFFFAOYSA-N
MW248.21 g/mol
LogP-1.66
Rot. Bonds1

About 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione

1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione (PubChem CID 73399420) has the molecular formula C9H13FN2O5 and a molecular weight of 248.21 g/mol. Its IUPAC name is 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione
PubChem CID73399420
Molecular FormulaC9H13FN2O5
Molecular Weight248.21 g/mol
Exact Mass248.08
IUPAC Name1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione
SMILESCC1OC(N2CC(F)C(=O)NC2=O)C(O)C1O
InChIInChI=1S/C9H13FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h3-6,8,13-14H,2H2,1H3,(H,11,15,16)
InChIKeyJFQFXUWDYOIAFF-UHFFFAOYSA-N
XLogP-1.66
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione (CID 73399420) is 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione is CC1OC(N2CC(F)C(=O)NC2=O)C(O)C1O.
What is the InChIKey of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione?
The InChIKey is JFQFXUWDYOIAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h3-6,8,13-14H,2H2,1H3,(H,11,15,16).
What are the key properties of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione?
1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione has a molecular weight of 248.21 g/mol, XLogP of -1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-diazinane-2,4-dione is sourced from PubChem (CID 73399420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).