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

C6H6F2N2O2 — CID 63811698

IUPAC1-(2,2-difluoroethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(F)F)c(=O)[nH]1
InChIInChI=1S/C6H6F2N2O2/c7-4(8)3-10-2-1-5(11)9-6(10)12/h1-2,4H,3H2,(H,9,11,12)
InChIKeyFRCFDYGUVFCFCO-UHFFFAOYSA-N
MW176.12 g/mol
LogP-0.20
Rot. Bonds2

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

1-(2,2-difluoroethyl)pyrimidine-2,4-dione (PubChem CID 63811698) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrimidine-2,4-dione
PubChem CID63811698
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name1-(2,2-difluoroethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(F)F)c(=O)[nH]1
InChIInChI=1S/C6H6F2N2O2/c7-4(8)3-10-2-1-5(11)9-6(10)12/h1-2,4H,3H2,(H,9,11,12)
InChIKeyFRCFDYGUVFCFCO-UHFFFAOYSA-N
XLogP-0.20
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2,2-difluoroethyl)pyrimidine-2,4-dione (CID 63811698) is 1-(2,2-difluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrimidine-2,4-dione is O=c1ccn(CC(F)F)c(=O)[nH]1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
The InChIKey is FRCFDYGUVFCFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c7-4(8)3-10-2-1-5(11)9-6(10)12/h1-2,4H,3H2,(H,9,11,12).
What are the key properties of 1-(2,2-difluoroethyl)pyrimidine-2,4-dione?
1-(2,2-difluoroethyl)pyrimidine-2,4-dione has a molecular weight of 176.12 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63811698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).