6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one

C13H9F3N2O — CID 10084242

IUPAC6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(/C=C/c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)10-4-1-9(2-5-10)3-6-11-7-8-17-12(19)18-11/h1-8H,(H,17,18,19)/b6-3+
InChIKeyMBTKSEXPTPPEJE-ZZXKWVIFSA-N
MW266.22 g/mol
LogP2.96
Rot. Bonds2

About 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one

6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one (PubChem CID 10084242) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one
PubChem CID10084242
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(/C=C/c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)10-4-1-9(2-5-10)3-6-11-7-8-17-12(19)18-11/h1-8H,(H,17,18,19)/b6-3+
InChIKeyMBTKSEXPTPPEJE-ZZXKWVIFSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one
CID 51037421
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
6-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 175216449
6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 132541991
2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole
CID 175311793
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
CID 136809878
5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475774
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one (CID 10084242) is 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one is O=c1nccc(/C=C/c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one?
The InChIKey is MBTKSEXPTPPEJE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-13(15,16)10-4-1-9(2-5-10)3-6-11-7-8-17-12(19)18-11/h1-8H,(H,17,18,19)/b6-3+.
What are the key properties of 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one?
6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one has a molecular weight of 266.22 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 10084242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).