5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one

C9H4F4N2O — CID 10823441

IUPAC5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one
SMILESO=c1nc2cccc(F)c2c(C(F)(F)F)[nH]1
InChIInChI=1S/C9H4F4N2O/c10-4-2-1-3-5-6(4)7(9(11,12)13)15-8(16)14-5/h1-3H,(H,14,15,16)
InChIKeyQVNGAGFXQDDIKI-UHFFFAOYSA-N
MW232.14 g/mol
LogP2.08
Rot. Bonds

About 5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one

5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one (PubChem CID 10823441) has the molecular formula C9H4F4N2O and a molecular weight of 232.14 g/mol. Its IUPAC name is 5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one.

Molecular Properties

Compound Name5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one
PubChem CID10823441
Molecular FormulaC9H4F4N2O
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC Name5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one
SMILESO=c1nc2cccc(F)c2c(C(F)(F)F)[nH]1
InChIInChI=1S/C9H4F4N2O/c10-4-2-1-3-5-6(4)7(9(11,12)13)15-8(16)14-5/h1-3H,(H,14,15,16)
InChIKeyQVNGAGFXQDDIKI-UHFFFAOYSA-N
XLogP2.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one?
The IUPAC name of 5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one (CID 10823441) is 5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one.
What is the SMILES notation for 5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one?
The canonical SMILES for 5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one is O=c1nc2cccc(F)c2c(C(F)(F)F)[nH]1.
What is the InChIKey of 5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one?
The InChIKey is QVNGAGFXQDDIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2O/c10-4-2-1-3-5-6(4)7(9(11,12)13)15-8(16)14-5/h1-3H,(H,14,15,16).
What are the key properties of 5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one?
5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one has a molecular weight of 232.14 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one is sourced from PubChem (CID 10823441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).