6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione

C10H12F2N2O2 — CID 54672076

IUPAC6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(C=C(CF)CF)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H12F2N2O2/c1-6-8(3-7(4-11)5-12)14(2)10(16)13-9(6)15/h3H,4-5H2,1-2H3,(H,13,15,16)
InChIKeyJYSWHVWWFHUVQQ-UHFFFAOYSA-N
MW230.21 g/mol
LogP0.70
Rot. Bonds3

About 6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione

6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 54672076) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione
PubChem CID54672076
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(C=C(CF)CF)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H12F2N2O2/c1-6-8(3-7(4-11)5-12)14(2)10(16)13-9(6)15/h3H,4-5H2,1-2H3,(H,13,15,16)
InChIKeyJYSWHVWWFHUVQQ-UHFFFAOYSA-N
XLogP0.70
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-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 6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione (CID 54672076) is 6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione is Cc1c(C=C(CF)CF)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is JYSWHVWWFHUVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-6-8(3-7(4-11)5-12)14(2)10(16)13-9(6)15/h3H,4-5H2,1-2H3,(H,13,15,16).
What are the key properties of 6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione?
6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 230.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-2-(fluoromethyl)prop-1-enyl]-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 54672076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).