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

C9H8ClF3N2 — CID 7172328

IUPAC2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1nc(Cl)nc2c1CCCC2
InChIInChI=1S/C9H8ClF3N2/c10-8-14-6-4-2-1-3-5(6)7(15-8)9(11,12)13/h1-4H2
InChIKeyPOCQYMUTNWQJLH-UHFFFAOYSA-N
MW236.62 g/mol
LogP3.03
Rot. Bonds

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

2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 7172328) has the molecular formula C9H8ClF3N2 and a molecular weight of 236.62 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID7172328
Molecular FormulaC9H8ClF3N2
Molecular Weight236.62 g/mol
Exact Mass236.03
IUPAC Name2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1nc(Cl)nc2c1CCCC2
InChIInChI=1S/C9H8ClF3N2/c10-8-14-6-4-2-1-3-5(6)7(15-8)9(11,12)13/h1-4H2
InChIKeyPOCQYMUTNWQJLH-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(trifluoromethyl)-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 2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (CID 7172328) is 2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is FC(F)(F)c1nc(Cl)nc2c1CCCC2.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is POCQYMUTNWQJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2/c10-8-14-6-4-2-1-3-5(6)7(15-8)9(11,12)13/h1-4H2.
What are the key properties of 2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 236.62 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 7172328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).