4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde

C9H8F2N2O4 — CID 169190520

IUPAC4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
SMILESO=CC1CC(F)C(n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C9H8F2N2O4/c10-5-1-4(3-14)17-8(5)13-2-6(11)7(15)12-9(13)16/h2-5,8H,1H2,(H,12,15,16)
InChIKeyUOORHMFPOKYSFK-UHFFFAOYSA-N
MW246.17 g/mol
LogP-0.50
Rot. Bonds2

About 4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde

4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde (PubChem CID 169190520) has the molecular formula C9H8F2N2O4 and a molecular weight of 246.17 g/mol. Its IUPAC name is 4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
PubChem CID169190520
Molecular FormulaC9H8F2N2O4
Molecular Weight246.17 g/mol
Exact Mass246.05
IUPAC Name4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
SMILESO=CC1CC(F)C(n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C9H8F2N2O4/c10-5-1-4(3-14)17-8(5)13-2-6(11)7(15)12-9(13)16/h2-5,8H,1H2,(H,12,15,16)
InChIKeyUOORHMFPOKYSFK-UHFFFAOYSA-N
XLogP-0.50
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,5R)-4-chloro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 170218498
5-fluoro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 139053601
5-fluoro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14541189
1-[(1S,3S,5S)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]-5-fluoropyrimidine-2,4-dione
CID 10799340
5-fluoro-1-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]pyrimidine-2,4-dione
CID 26501923
1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71315472
1-[(2R,5R)-5-(dideuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 71684674
(5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylic acid
CID 70610848
[(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 170391685
1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 170212829
1-[(2R,3R,4S,5R)-5-deuterio-5-(dideuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 131708567
1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 7059460

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde?
The IUPAC name of 4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde (CID 169190520) is 4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde.
What is the SMILES notation for 4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde?
The canonical SMILES for 4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde is O=CC1CC(F)C(n2cc(F)c(=O)[nH]c2=O)O1.
What is the InChIKey of 4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde?
The InChIKey is UOORHMFPOKYSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O4/c10-5-1-4(3-14)17-8(5)13-2-6(11)7(15)12-9(13)16/h2-5,8H,1H2,(H,12,15,16).
What are the key properties of 4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde?
4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde has a molecular weight of 246.17 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde is sourced from PubChem (CID 169190520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).