1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine

C16H10F6N2 — CID 174861792

IUPAC1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine
SMILESFC1=C(F)N(F)C(F)(c2ccccc2)C(F)(c2ccccc2)N1F
InChIInChI=1S/C16H10F6N2/c17-13-14(18)24(22)16(20,12-9-5-2-6-10-12)15(19,23(13)21)11-7-3-1-4-8-11/h1-10H
InChIKeyLTQXLMXRRLTQLC-UHFFFAOYSA-N
MW344.26 g/mol
LogP5.08
Rot. Bonds2

About 1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine

1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine (PubChem CID 174861792) has the molecular formula C16H10F6N2 and a molecular weight of 344.26 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine.

Molecular Properties

Compound Name1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine
PubChem CID174861792
Molecular FormulaC16H10F6N2
Molecular Weight344.26 g/mol
Exact Mass344.07
IUPAC Name1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine
SMILESFC1=C(F)N(F)C(F)(c2ccccc2)C(F)(c2ccccc2)N1F
InChIInChI=1S/C16H10F6N2/c17-13-14(18)24(22)16(20,12-9-5-2-6-10-12)15(19,23(13)21)11-7-3-1-4-8-11/h1-10H
InChIKeyLTQXLMXRRLTQLC-UHFFFAOYSA-N
XLogP5.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.26
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluoro-2-phenyl-1H-imidazole
CID 87237813
1-fluoro-2,3-dimethyl-2,3-diphenylaziridine
CID 134994319
2,3-difluoro-2,3-diphenyloxirane
CID 87247066
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
1-fluoro-2,3-dimethyl-2-phenylaziridine
CID 12547280
3-fluoro-1-methyl-3-phenylazetidine
CID 126996744
(1-fluorocyclopentyl)benzene
CID 67593041
(2S)-2-fluoro-2-phenylcyclopropan-1-amine
CID 155890824
4-fluoro-1-iodo-4-phenylpiperidine
CID 138702171
(1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene
CID 14229113
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
5-phenyl-5-(trifluoromethyl)tetrazole
CID 69382702

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine?
The IUPAC name of 1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine (CID 174861792) is 1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine.
What is the SMILES notation for 1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine?
The canonical SMILES for 1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine is FC1=C(F)N(F)C(F)(c2ccccc2)C(F)(c2ccccc2)N1F.
What is the InChIKey of 1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine?
The InChIKey is LTQXLMXRRLTQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2/c17-13-14(18)24(22)16(20,12-9-5-2-6-10-12)15(19,23(13)21)11-7-3-1-4-8-11/h1-10H.
What are the key properties of 1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine?
1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine has a molecular weight of 344.26 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexafluoro-2,3-diphenylpyrazine is sourced from PubChem (CID 174861792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).