1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium

C11H9F2N2+ — CID 139736917

IUPAC1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium
SMILESFc1ccc(C[n+]2ccncc2)c(F)c1
InChIInChI=1S/C11H9F2N2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-7H,8H2/q+1
InChIKeyKQJFGPJGGZSVDU-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.70
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium

1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium (PubChem CID 139736917) has the molecular formula C11H9F2N2+ and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium
PubChem CID139736917
Molecular FormulaC11H9F2N2+
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium
SMILESFc1ccc(C[n+]2ccncc2)c(F)c1
InChIInChI=1S/C11H9F2N2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-7H,8H2/q+1
InChIKeyKQJFGPJGGZSVDU-UHFFFAOYSA-N
XLogP1.70
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-difluorophenyl)methyl]pyridin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139731843
4-(2,4-difluorophenyl)pyridine
CID 45036856
3-[(2,4-difluorophenyl)methyl]-2,4,5-trimethyl-1,3-thiazol-3-ium
CID 69187648
1-(ethylsulfanylmethyl)-2,4-difluorobenzene
CID 91657273
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
dideuterio-(2,4-difluorophenyl)methanol
CID 90303710
2-(2,4-difluorophenyl)-1,3-bis[4-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-4-ium-1-yl]propan-2-ol
CID 54771600
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
N-[(2,4-difluorophenyl)methyl]methanimine
CID 123291562
CID 58696093
CID 58696093
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium (CID 139736917) is 1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium is Fc1ccc(C[n+]2ccncc2)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium?
The InChIKey is KQJFGPJGGZSVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-7H,8H2/q+1.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium?
1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium has a molecular weight of 207.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]pyrazin-1-ium is sourced from PubChem (CID 139736917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).