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

C9H4F4N2O — CID 10657180

IUPAC6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one
SMILESO=c1nc2ccc(F)cc2c(C(F)(F)F)[nH]1
InChIInChI=1S/C9H4F4N2O/c10-4-1-2-6-5(3-4)7(9(11,12)13)15-8(16)14-6/h1-3H,(H,14,15,16)
InChIKeyVMSSFBRZNHOVRS-UHFFFAOYSA-N
MW232.14 g/mol
LogP2.08
Rot. Bonds

About 6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one

6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one (PubChem CID 10657180) has the molecular formula C9H4F4N2O and a molecular weight of 232.14 g/mol. Its IUPAC name is 6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one
PubChem CID10657180
Molecular FormulaC9H4F4N2O
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC Name6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one
SMILESO=c1nc2ccc(F)cc2c(C(F)(F)F)[nH]1
InChIInChI=1S/C9H4F4N2O/c10-4-1-2-6-5(3-4)7(9(11,12)13)15-8(16)14-6/h1-3H,(H,14,15,16)
InChIKeyVMSSFBRZNHOVRS-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 6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one?
The IUPAC name of 6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one (CID 10657180) is 6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one.
What is the SMILES notation for 6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one?
The canonical SMILES for 6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one is O=c1nc2ccc(F)cc2c(C(F)(F)F)[nH]1.
What is the InChIKey of 6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one?
The InChIKey is VMSSFBRZNHOVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2O/c10-4-1-2-6-5(3-4)7(9(11,12)13)15-8(16)14-6/h1-3H,(H,14,15,16).
What are the key properties of 6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one?
6-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 6-fluoro-4-(trifluoromethyl)-3H-quinazolin-2-one is sourced from PubChem (CID 10657180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).