4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline

C10H9F3N2 — CID 149166937

IUPAC4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline
SMILESCC1=C2C=C(C(F)(F)F)C=CC2N=CN1
InChIInChI=1S/C10H9F3N2/c1-6-8-4-7(10(11,12)13)2-3-9(8)15-5-14-6/h2-5,9H,1H3,(H,14,15)
InChIKeyWYHKTVAKZGCCFY-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.32
Rot. Bonds

About 4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline

4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline (PubChem CID 149166937) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline
PubChem CID149166937
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline
SMILESCC1=C2C=C(C(F)(F)F)C=CC2N=CN1
InChIInChI=1S/C10H9F3N2/c1-6-8-4-7(10(11,12)13)2-3-9(8)15-5-14-6/h2-5,9H,1H3,(H,14,15)
InChIKeyWYHKTVAKZGCCFY-UHFFFAOYSA-N
XLogP2.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline?
The IUPAC name of 4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline (CID 149166937) is 4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline is CC1=C2C=C(C(F)(F)F)C=CC2N=CN1.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline?
The InChIKey is WYHKTVAKZGCCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-6-8-4-7(10(11,12)13)2-3-9(8)15-5-14-6/h2-5,9H,1H3,(H,14,15).
What are the key properties of 4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline?
4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline has a molecular weight of 214.19 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline is sourced from PubChem (CID 149166937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).