1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone

C18H12F2N2O — CID 159893649

IUPAC1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone
SMILESO=C(Cc1cnc(-c2ccccc2F)cn1)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O/c19-13-7-5-12(6-8-13)18(23)9-14-10-22-17(11-21-14)15-3-1-2-4-16(15)20/h1-8,10-11H,9H2
InChIKeyNVBMHQVKLRRVFP-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.85
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone

1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone (PubChem CID 159893649) has the molecular formula C18H12F2N2O and a molecular weight of 310.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone
PubChem CID159893649
Molecular FormulaC18H12F2N2O
Molecular Weight310.30 g/mol
Exact Mass310.09
IUPAC Name1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone
SMILESO=C(Cc1cnc(-c2ccccc2F)cn1)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O/c19-13-7-5-12(6-8-13)18(23)9-14-10-22-17(11-21-14)15-3-1-2-4-16(15)20/h1-8,10-11H,9H2
InChIKeyNVBMHQVKLRRVFP-UHFFFAOYSA-N
XLogP3.85
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]-1-phenylethanone bromide
CID 51056449
1-(4-bromophenyl)-2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide
CID 45047097
1-(4-bromophenyl)-2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]ethanone;hydrobromide
CID 126958300
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
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2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone
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2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870438
2-(6-chloropyrimidin-4-yl)-1-(4-fluorophenyl)ethanone
CID 18987685
3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
5-(2-fluorophenyl)-2H-triazolo[4,5-b]pyrazine
CID 152521163
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone
CID 147863528

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone (CID 159893649) is 1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone is O=C(Cc1cnc(-c2ccccc2F)cn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone?
The InChIKey is NVBMHQVKLRRVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O/c19-13-7-5-12(6-8-13)18(23)9-14-10-22-17(11-21-14)15-3-1-2-4-16(15)20/h1-8,10-11H,9H2.
What are the key properties of 1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone?
1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone has a molecular weight of 310.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[5-(2-fluorophenyl)pyrazin-2-yl]ethanone is sourced from PubChem (CID 159893649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).