1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione

C11H13F3N2O2 — CID 101347112

IUPAC1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCC(F)(F)F)c2c1CCCC2
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)5-6-16-8-4-2-1-3-7(8)9(17)15-10(16)18/h1-6H2,(H,15,17,18)
InChIKeyOJOPGVJCIBJDRK-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.37
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione

1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione (PubChem CID 101347112) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
PubChem CID101347112
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCC(F)(F)F)c2c1CCCC2
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)5-6-16-8-4-2-1-3-7(8)9(17)15-10(16)18/h1-6H2,(H,15,17,18)
InChIKeyOJOPGVJCIBJDRK-UHFFFAOYSA-N
XLogP1.37
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-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-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione (CID 101347112) is 1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione is O=c1[nH]c(=O)n(CCC(F)(F)F)c2c1CCCC2.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The InChIKey is OJOPGVJCIBJDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)5-6-16-8-4-2-1-3-7(8)9(17)15-10(16)18/h1-6H2,(H,15,17,18).
What are the key properties of 1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione has a molecular weight of 262.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 101347112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).