3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one

C11H6F4N2O — CID 19365509

IUPAC3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cnc1-c1ccc(F)cc1
InChIInChI=1S/C11H6F4N2O/c12-7-3-1-6(2-4-7)9-10(18)17-8(5-16-9)11(13,14)15/h1-5H,(H,17,18)
InChIKeyVVPZHTISVSALRR-UHFFFAOYSA-N
MW258.17 g/mol
LogP2.59
Rot. Bonds1

About 3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one

3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one (PubChem CID 19365509) has the molecular formula C11H6F4N2O and a molecular weight of 258.17 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one
PubChem CID19365509
Molecular FormulaC11H6F4N2O
Molecular Weight258.17 g/mol
Exact Mass258.04
IUPAC Name3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cnc1-c1ccc(F)cc1
InChIInChI=1S/C11H6F4N2O/c12-7-3-1-6(2-4-7)9-10(18)17-8(5-16-9)11(13,14)15/h1-5H,(H,17,18)
InChIKeyVVPZHTISVSALRR-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

3,6-Diphenyl-2-pyrazinol
CID 619181
2-Hydroxy-3-phenylpyrazine
CID 155966
5-chloro-3-phenyl-1H-pyrazin-2-one
CID 15498465
6-Methyl-3-phenylpyrazin-2(1H)-one
CID 12566001
2-Hydroxy-3-phenyl-5-bromopyrazine
CID 20528924
3-(4-Chloro-2-fluorophenyl)-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365499
3-(2,4-Difluorophenyl)-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365505
3-(2,4-Difluorophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365512
3-(4-chloro-2-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one
CID 19365513
3-(4-Fluorophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365516
3-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one
CID 19365523
3-(2-Fluorophenyl)-1,4-benzodiazepin-2-one
CID 21566867

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one (CID 19365509) is 3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one is O=c1[nH]c(C(F)(F)F)cnc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one?
The InChIKey is VVPZHTISVSALRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2O/c12-7-3-1-6(2-4-7)9-10(18)17-8(5-16-9)11(13,14)15/h1-5H,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one?
3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-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 3-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrazin-2-one is sourced from PubChem (CID 19365509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).