4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

C11H5ClF4N2O — CID 106521131

IUPAC4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cc(F)cc(Cl)c2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H5ClF4N2O/c12-6-1-5(2-7(13)3-6)8-4-9(11(14,15)16)18-10(19)17-8/h1-4H,(H,17,18,19)
InChIKeyLGNGVWBXUYWVLA-UHFFFAOYSA-N
MW292.62 g/mol
LogP3.25
Rot. Bonds1

About 4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 106521131) has the molecular formula C11H5ClF4N2O and a molecular weight of 292.62 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID106521131
Molecular FormulaC11H5ClF4N2O
Molecular Weight292.62 g/mol
Exact Mass292.00
IUPAC Name4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cc(F)cc(Cl)c2)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H5ClF4N2O/c12-6-1-5(2-7(13)3-6)8-4-9(11(14,15)16)18-10(19)17-8/h1-4H,(H,17,18,19)
InChIKeyLGNGVWBXUYWVLA-UHFFFAOYSA-N
XLogP3.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.62
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 125492218
4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106514596
4-(3-nitrophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91926987
3-(3-chloro-5-fluorophenyl)-1H-pyridazin-6-one
CID 106521121
4-(1-methylpyrrol-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91927049
4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 113241920
4-(5-propoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106520742
5-(3-chloro-5-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 53222344
3-(3-chloro-5-fluorophenyl)-1,2-oxazole
CID 165442186
2-chloro-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine
CID 102716375
2-chloro-6-(3-chloro-5-fluorophenyl)pyrazine
CID 115504735
4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849650

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (CID 106521131) is 4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is O=c1nc(-c2cc(F)cc(Cl)c2)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is LGNGVWBXUYWVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF4N2O/c12-6-1-5(2-7(13)3-6)8-4-9(11(14,15)16)18-10(19)17-8/h1-4H,(H,17,18,19).
What are the key properties of 4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 292.62 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 106521131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).