6-(trifluoromethyl)-4aH-quinazolin-4-one

C9H5F3N2O — CID 72737856

IUPAC6-(trifluoromethyl)-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(C(F)(F)F)=CC12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-7-6(3-5)8(15)14-4-13-7/h1-4,6H
InChIKeyAZGLLSOMVYKSFQ-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.67
Rot. Bonds

About 6-(trifluoromethyl)-4aH-quinazolin-4-one

6-(trifluoromethyl)-4aH-quinazolin-4-one (PubChem CID 72737856) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4aH-quinazolin-4-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-4aH-quinazolin-4-one
PubChem CID72737856
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name6-(trifluoromethyl)-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(C(F)(F)F)=CC12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-7-6(3-5)8(15)14-4-13-7/h1-4,6H
InChIKeyAZGLLSOMVYKSFQ-UHFFFAOYSA-N
XLogP1.67
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Fluoroquinazolin-4(4aH)-one
CID 71304042
2-chloro-7-fluoro-4aH-quinazolin-4-one
CID 71302517
2-chloro-6-fluoro-4aH-quinazolin-4-one
CID 71650346
6-Fluoro-4(4aH)-quinazolinone
CID 71650446
7-(trifluoromethyl)-8aH-isoquinolin-1-one
CID 72211761
6-(trifluoromethyl)-8aH-isoquinolin-1-one
CID 72211762
7-fluoro-6-methyl-4aH-quinazolin-4-one
CID 72245701
5,8-difluoro-4aH-quinazolin-4-one
CID 72534678
6,7-difluoro-2-methyl-4aH-quinazolin-4-one
CID 72556741
7-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72733956
2-amino-5-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72739866
5,7-difluoro-4aH-quinazolin-4-one
CID 73158524

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4aH-quinazolin-4-one?
The IUPAC name of 6-(trifluoromethyl)-4aH-quinazolin-4-one (CID 72737856) is 6-(trifluoromethyl)-4aH-quinazolin-4-one.
What is the SMILES notation for 6-(trifluoromethyl)-4aH-quinazolin-4-one?
The canonical SMILES for 6-(trifluoromethyl)-4aH-quinazolin-4-one is O=C1N=CN=C2C=CC(C(F)(F)F)=CC12.
What is the InChIKey of 6-(trifluoromethyl)-4aH-quinazolin-4-one?
The InChIKey is AZGLLSOMVYKSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-7-6(3-5)8(15)14-4-13-7/h1-4,6H.
What are the key properties of 6-(trifluoromethyl)-4aH-quinazolin-4-one?
6-(trifluoromethyl)-4aH-quinazolin-4-one has a molecular weight of 214.15 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4aH-quinazolin-4-one is sourced from PubChem (CID 72737856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).