8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one

C12H6ClF3N2O2 — CID 71056307

IUPAC8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCn1c(C(F)(F)F)nc2c(oc3ccc(Cl)cc32)c1=O
InChIInChI=1S/C12H6ClF3N2O2/c1-18-10(19)9-8(17-11(18)12(14,15)16)6-4-5(13)2-3-7(6)20-9/h2-4H,1H3
InChIKeySDWRLWRQHVMTES-UHFFFAOYSA-N
MW302.64 g/mol
LogP3.35
Rot. Bonds

About 8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one

8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 71056307) has the molecular formula C12H6ClF3N2O2 and a molecular weight of 302.64 g/mol. Its IUPAC name is 8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID71056307
Molecular FormulaC12H6ClF3N2O2
Molecular Weight302.64 g/mol
Exact Mass302.01
IUPAC Name8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCn1c(C(F)(F)F)nc2c(oc3ccc(Cl)cc32)c1=O
InChIInChI=1S/C12H6ClF3N2O2/c1-18-10(19)9-8(17-11(18)12(14,15)16)6-4-5(13)2-3-7(6)20-9/h2-4H,1H3
InChIKeySDWRLWRQHVMTES-UHFFFAOYSA-N
XLogP3.35
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one 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 8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 71056307) is 8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one is Cn1c(C(F)(F)F)nc2c(oc3ccc(Cl)cc32)c1=O.
What is the InChIKey of 8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is SDWRLWRQHVMTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O2/c1-18-10(19)9-8(17-11(18)12(14,15)16)6-4-5(13)2-3-7(6)20-9/h2-4H,1H3.
What are the key properties of 8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 302.64 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 71056307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).