4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline

C11H12ClF3N2O — CID 103473538

IUPAC4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)COCc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C11H12ClF3N2O/c12-10-7-3-1-2-4-8(7)16-9(17-10)5-18-6-11(13,14)15/h1-6H2
InChIKeyXFHVSIYCASBUBH-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.09
Rot. Bonds3

About 4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline

4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 103473538) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID103473538
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)COCc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C11H12ClF3N2O/c12-10-7-3-1-2-4-8(7)16-9(17-10)5-18-6-11(13,14)15/h1-6H2
InChIKeyXFHVSIYCASBUBH-UHFFFAOYSA-N
XLogP3.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline 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 4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline (CID 103473538) is 4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline is FC(F)(F)COCc1nc(Cl)c2c(n1)CCCC2.
What is the InChIKey of 4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is XFHVSIYCASBUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c12-10-7-3-1-2-4-8(7)16-9(17-10)5-18-6-11(13,14)15/h1-6H2.
What are the key properties of 4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 280.68 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 103473538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).