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

C11H8F4N2O — CID 175303920

IUPAC4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one
SMILESO=c1nc2ccc(C(F)(F)F)cc2c(CCF)[nH]1
InChIInChI=1S/C11H8F4N2O/c12-4-3-9-7-5-6(11(13,14)15)1-2-8(7)16-10(18)17-9/h1-2,5H,3-4H2,(H,16,17,18)
InChIKeyXEEAPKNXCVOHSI-UHFFFAOYSA-N
MW260.19 g/mol
LogP2.45
Rot. Bonds2

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

4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one (PubChem CID 175303920) has the molecular formula C11H8F4N2O and a molecular weight of 260.19 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one
PubChem CID175303920
Molecular FormulaC11H8F4N2O
Molecular Weight260.19 g/mol
Exact Mass260.06
IUPAC Name4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one
SMILESO=c1nc2ccc(C(F)(F)F)cc2c(CCF)[nH]1
InChIInChI=1S/C11H8F4N2O/c12-4-3-9-7-5-6(11(13,14)15)1-2-8(7)16-10(18)17-9/h1-2,5H,3-4H2,(H,16,17,18)
InChIKeyXEEAPKNXCVOHSI-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Propan-2-yl)-1,2-dihydroquinazolin-2-one
CID 13724869
4-Methylquinazolin-2(1H)-one
CID 3015712
4-Trifluoromethylquinazolin-2-one
CID 105467330
Fluoroquinazolinone
CID 129815083
Difluoroquinazolinone
CID 132278519
Cyanomethylquinazolone
CID 20481589
4,5-Dimethylquinazolin-2(1H)-one
CID 53817297
4-Propyl-quinazolinone
CID 129858362
5,6-difluoro-4-trifluoromethylquinazolin-2(1H)-one
CID 9942954
6-chloro-4-trifluoromethylquinazolin-2(1H)-one
CID 9964875
6-Fluoro-4-(trifluoromethyl)quinazolin-2(1H)-one
CID 10657180
5-fluoro-4-trifluoromethylquinazolin-2(1H)-one
CID 10823441

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one?
The IUPAC name of 4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one (CID 175303920) is 4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one.
What is the SMILES notation for 4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one?
The canonical SMILES for 4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one is O=c1nc2ccc(C(F)(F)F)cc2c(CCF)[nH]1.
What is the InChIKey of 4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one?
The InChIKey is XEEAPKNXCVOHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O/c12-4-3-9-7-5-6(11(13,14)15)1-2-8(7)16-10(18)17-9/h1-2,5H,3-4H2,(H,16,17,18).
What are the key properties of 4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one?
4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one has a molecular weight of 260.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-6-(trifluoromethyl)-3H-quinazolin-2-one is sourced from PubChem (CID 175303920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).