6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one

C15H10F6N2O — CID 10089080

IUPAC6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one
SMILESC/C(=C\c1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)[nH]c(=O)n1
InChIInChI=1S/C15H10F6N2O/c1-8(6-9-2-4-10(5-3-9)14(16,17)18)11-7-12(15(19,20)21)23-13(24)22-11/h2-7H,1H3,(H,22,23,24)/b8-6+
InChIKeyVBPJUULZCYKLAL-SOFGYWHQSA-N
MW348.25 g/mol
LogP4.37
Rot. Bonds2

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

6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one (PubChem CID 10089080) has the molecular formula C15H10F6N2O and a molecular weight of 348.25 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one
PubChem CID10089080
Molecular FormulaC15H10F6N2O
Molecular Weight348.25 g/mol
Exact Mass348.07
IUPAC Name6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one
SMILESC/C(=C\c1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)[nH]c(=O)n1
InChIInChI=1S/C15H10F6N2O/c1-8(6-9-2-4-10(5-3-9)14(16,17)18)11-7-12(15(19,20)21)23-13(24)22-11/h2-7H,1H3,(H,22,23,24)/b8-6+
InChIKeyVBPJUULZCYKLAL-SOFGYWHQSA-N
XLogP4.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Trifluoromethyl-6-[2-(2-trifluoromethyl-phenyl)-vinyl]-1H-pyrimidin-2-one
CID 5337137
4-Phenyl-6-(trifluoromethyl)pyrimidin-2-ol
CID 746778
6-methyl-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-2-one
CID 7183990
6-Methyl-4-phenyl-1H-pyrimidin-2-one
CID 233401
4-(trifluoromethyl)-6-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]pyrimidin-2(1H)-one
CID 5765500
5-(2,6-Difluorophenyl)-1,3-dihydrobenzimidazol-2-one
CID 155295265
4-[(1E)-2-phenylethenyl]-6-(trifluoromethyl)pyrimidin-2-ol
CID 5768618
4-[2-(2,4-difluorophenyl)vinyl]-6-(trifluoromethyl)-2(1H)-pyrimidinone
CID 5349901
Benzonitrile, 4-[2-(1,2-dihydro-6-trifluoromethyl-2-oxo-4-pyrimidyl)ethenyl]-
CID 5378353
4-[(E)-2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 5753880
2-Oxo-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-1,2-dihydropyrimidine
CID 129738905
6-(trifluoromethyl)-4-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one
CID 622171

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one (CID 10089080) is 6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one is C/C(=C\c1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)[nH]c(=O)n1.
What is the InChIKey of 6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one?
The InChIKey is VBPJUULZCYKLAL-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H10F6N2O/c1-8(6-9-2-4-10(5-3-9)14(16,17)18)11-7-12(15(19,20)21)23-13(24)22-11/h2-7H,1H3,(H,22,23,24)/b8-6+.
What are the key properties of 6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one?
6-(trifluoromethyl)-4-[(E)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one has a molecular weight of 348.25 g/mol, XLogP of 4.37, 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)-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 10089080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).