1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione

C7H8F2N2O3 — CID 164871743

IUPAC1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCOC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H8F2N2O3/c8-6(9)14-4-3-11-2-1-5(12)10-7(11)13/h1-2,6H,3-4H2,(H,10,12,13)
InChIKeyCBVMHBOZQSBRHV-UHFFFAOYSA-N
MW206.15 g/mol
LogP-0.22
Rot. Bonds4

About 1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione

1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 164871743) has the molecular formula C7H8F2N2O3 and a molecular weight of 206.15 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione
PubChem CID164871743
Molecular FormulaC7H8F2N2O3
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCOC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H8F2N2O3/c8-6(9)14-4-3-11-2-1-5(12)10-7(11)13/h1-2,6H,3-4H2,(H,10,12,13)
InChIKeyCBVMHBOZQSBRHV-UHFFFAOYSA-N
XLogP-0.22
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione (CID 164871743) is 1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione is O=c1ccn(CCOC(F)F)c(=O)[nH]1.
What is the InChIKey of 1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is CBVMHBOZQSBRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3/c8-6(9)14-4-3-11-2-1-5(12)10-7(11)13/h1-2,6H,3-4H2,(H,10,12,13).
What are the key properties of 1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione?
1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 206.15 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 164871743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).