1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione

C6H3F5N2O2 — CID 169034399

IUPAC1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(C(F)(F)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C6H3F5N2O2/c7-5(8,9)6(10,11)13-2-1-3(14)12-4(13)15/h1-2H,(H,12,14,15)
InChIKeyKFQCNPNWRZTYQA-UHFFFAOYSA-N
MW230.09 g/mol
LogP0.65
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione

1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione (PubChem CID 169034399) has the molecular formula C6H3F5N2O2 and a molecular weight of 230.09 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione
PubChem CID169034399
Molecular FormulaC6H3F5N2O2
Molecular Weight230.09 g/mol
Exact Mass230.01
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(C(F)(F)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C6H3F5N2O2/c7-5(8,9)6(10,11)13-2-1-3(14)12-4(13)15/h1-2H,(H,12,14,15)
InChIKeyKFQCNPNWRZTYQA-UHFFFAOYSA-N
XLogP0.65
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Uracil
CID 1174
1-Methyluracil
CID 12009
1-Ethyluracil
CID 4183135
1-Allyl-5-fluorouracil
CID 342611
Uracil C-13, 2-
CID 10171240
1-N-Acetyluracil
CID 319990
Vinyl 5-fluoruracil
CID 12534518
1-Fluoropyrimidine-2,4-dione
CID 14907381
1-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CID 18365968
g-Fluorouracil
CID 19087763
Iodouracil
CID 21904347
1-Chloropyrimidine-2,4(1H,3H)-dione
CID 22398415

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione (CID 169034399) is 1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione is O=c1ccn(C(F)(F)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione?
The InChIKey is KFQCNPNWRZTYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5N2O2/c7-5(8,9)6(10,11)13-2-1-3(14)12-4(13)15/h1-2H,(H,12,14,15).
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione?
1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione has a molecular weight of 230.09 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 169034399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).