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

C14H8F6N2O — CID 5337137

IUPAC6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(/C=C/c2ccccc2C(F)(F)F)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C14H8F6N2O/c15-13(16,17)10-4-2-1-3-8(10)5-6-9-7-11(14(18,19)20)22-12(23)21-9/h1-7H,(H,21,22,23)/b6-5+
InChIKeyICPGIBOUOUKJRO-AATRIKPKSA-N
MW334.22 g/mol
LogP3.98
Rot. Bonds2

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

6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one (PubChem CID 5337137) has the molecular formula C14H8F6N2O and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one
PubChem CID5337137
Molecular FormulaC14H8F6N2O
Molecular Weight334.22 g/mol
Exact Mass334.05
IUPAC Name6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(/C=C/c2ccccc2C(F)(F)F)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C14H8F6N2O/c15-13(16,17)10-4-2-1-3-8(10)5-6-9-7-11(14(18,19)20)22-12(23)21-9/h1-7H,(H,21,22,23)/b6-5+
InChIKeyICPGIBOUOUKJRO-AATRIKPKSA-N
XLogP3.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one (CID 5337137) is 6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one is O=c1nc(/C=C/c2ccccc2C(F)(F)F)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one?
The InChIKey is ICPGIBOUOUKJRO-AATRIKPKSA-N. The full InChI is InChI=1S/C14H8F6N2O/c15-13(16,17)10-4-2-1-3-8(10)5-6-9-7-11(14(18,19)20)22-12(23)21-9/h1-7H,(H,21,22,23)/b6-5+.
What are the key properties of 6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one?
6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one has a molecular weight of 334.22 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 5337137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).