4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline

C11H11F3N2 — CID 71220356

IUPAC4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline
SMILESCC1=CCCc2nc(C(F)(F)F)nc(C)c21
InChIInChI=1S/C11H11F3N2/c1-6-4-3-5-8-9(6)7(2)15-10(16-8)11(12,13)14/h4H,3,5H2,1-2H3
InChIKeyODDFNLFQEGSWES-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.15
Rot. Bonds

About 4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline

4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline (PubChem CID 71220356) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline
PubChem CID71220356
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline
SMILESCC1=CCCc2nc(C(F)(F)F)nc(C)c21
InChIInChI=1S/C11H11F3N2/c1-6-4-3-5-8-9(6)7(2)15-10(16-8)11(12,13)14/h4H,3,5H2,1-2H3
InChIKeyODDFNLFQEGSWES-UHFFFAOYSA-N
XLogP3.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline (CID 71220356) is 4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline is CC1=CCCc2nc(C(F)(F)F)nc(C)c21.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline?
The InChIKey is ODDFNLFQEGSWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-6-4-3-5-8-9(6)7(2)15-10(16-8)11(12,13)14/h4H,3,5H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline?
4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline has a molecular weight of 228.22 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(trifluoromethyl)-7,8-dihydroquinazoline is sourced from PubChem (CID 71220356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).