1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione

C8H7F5N2O2 — CID 125479656

IUPAC1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione
SMILESCn1cc(C(F)(F)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H7F5N2O2/c1-14-3-4(5(16)15(2)6(14)17)7(9,10)8(11,12)13/h3H,1-2H3
InChIKeyNROFFEHQSZFBAI-UHFFFAOYSA-N
MW258.15 g/mol
LogP0.74
Rot. Bonds1

About 1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione

1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione (PubChem CID 125479656) has the molecular formula C8H7F5N2O2 and a molecular weight of 258.15 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione
PubChem CID125479656
Molecular FormulaC8H7F5N2O2
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione
SMILESCn1cc(C(F)(F)C(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H7F5N2O2/c1-14-3-4(5(16)15(2)6(14)17)7(9,10)8(11,12)13/h3H,1-2H3
InChIKeyNROFFEHQSZFBAI-UHFFFAOYSA-N
XLogP0.74
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione (CID 125479656) is 1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione is Cn1cc(C(F)(F)C(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione?
The InChIKey is NROFFEHQSZFBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O2/c1-14-3-4(5(16)15(2)6(14)17)7(9,10)8(11,12)13/h3H,1-2H3.
What are the key properties of 1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione?
1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione has a molecular weight of 258.15 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 125479656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).