5-fluoro-1-propanoylpyrimidine-2,4-dione

C7H7FN2O3 — CID 10103890

IUPAC5-fluoro-1-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O3/c1-2-5(11)10-3-4(8)6(12)9-7(10)13/h3H,2H2,1H3,(H,9,12,13)
InChIKeyIQBDVJWBUMTCEE-UHFFFAOYSA-N
MW186.14 g/mol
LogP-0.27
Rot. Bonds1

About 5-fluoro-1-propanoylpyrimidine-2,4-dione

5-fluoro-1-propanoylpyrimidine-2,4-dione (PubChem CID 10103890) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 5-fluoro-1-propanoylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-propanoylpyrimidine-2,4-dione
PubChem CID10103890
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name5-fluoro-1-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O3/c1-2-5(11)10-3-4(8)6(12)9-7(10)13/h3H,2H2,1H3,(H,9,12,13)
InChIKeyIQBDVJWBUMTCEE-UHFFFAOYSA-N
XLogP-0.27
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-propanoylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-propanoylpyrimidine-2,4-dione (CID 10103890) is 5-fluoro-1-propanoylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-propanoylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-propanoylpyrimidine-2,4-dione is CCC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-propanoylpyrimidine-2,4-dione?
The InChIKey is IQBDVJWBUMTCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c1-2-5(11)10-3-4(8)6(12)9-7(10)13/h3H,2H2,1H3,(H,9,12,13).
What are the key properties of 5-fluoro-1-propanoylpyrimidine-2,4-dione?
5-fluoro-1-propanoylpyrimidine-2,4-dione has a molecular weight of 186.14 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-propanoylpyrimidine-2,4-dione is sourced from PubChem (CID 10103890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).