2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H6F4N2O — CID 136740728

IUPAC2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(-c2ccccc2F)[nH]1
InChIInChI=1S/C11H6F4N2O/c12-7-4-2-1-3-6(7)10-16-8(11(13,14)15)5-9(18)17-10/h1-5H,(H,16,17,18)
InChIKeyJOYYWEKKPWIQHW-UHFFFAOYSA-N
MW258.17 g/mol
LogP2.59
Rot. Bonds1

About 2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136740728) has the molecular formula C11H6F4N2O and a molecular weight of 258.17 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136740728
Molecular FormulaC11H6F4N2O
Molecular Weight258.17 g/mol
Exact Mass258.04
IUPAC Name2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(-c2ccccc2F)[nH]1
InChIInChI=1S/C11H6F4N2O/c12-7-4-2-1-3-6(7)10-16-8(11(13,14)15)5-9(18)17-10/h1-5H,(H,16,17,18)
InChIKeyJOYYWEKKPWIQHW-UHFFFAOYSA-N
XLogP2.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-2-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136740682
4-(2-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000862
2-(2-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136668742
4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692393
2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135794340
3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]benzoic acid
CID 148740046
2-[(2-bromophenyl)methylsulfanyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 154860302
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-1H-pyrimidin-6-one
CID 135446520
2-phenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrimidin-6-one
CID 136852890
N-[(2-fluorophenyl)methyl]-3-methyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136706641
2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136692389
4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883194

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136740728) is 2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(-c2ccccc2F)[nH]1.
What is the InChIKey of 2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is JOYYWEKKPWIQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2O/c12-7-4-2-1-3-6(7)10-16-8(11(13,14)15)5-9(18)17-10/h1-5H,(H,16,17,18).
What are the key properties of 2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 258.17 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136740728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).