3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine

C14H6F4N4 — CID 23362742

IUPAC3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine
SMILESFc1cccc(F)c1-c1nnc(-c2c(F)cccc2F)nn1
InChIInChI=1S/C14H6F4N4/c15-7-3-1-4-8(16)11(7)13-19-21-14(22-20-13)12-9(17)5-2-6-10(12)18/h1-6H
InChIKeyITQQWDCXHUCUSJ-UHFFFAOYSA-N
MW306.22 g/mol
LogP3.16
Rot. Bonds2

About 3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine

3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine (PubChem CID 23362742) has the molecular formula C14H6F4N4 and a molecular weight of 306.22 g/mol. Its IUPAC name is 3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine
PubChem CID23362742
Molecular FormulaC14H6F4N4
Molecular Weight306.22 g/mol
Exact Mass306.05
IUPAC Name3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine
SMILESFc1cccc(F)c1-c1nnc(-c2c(F)cccc2F)nn1
InChIInChI=1S/C14H6F4N4/c15-7-3-1-4-8(16)11(7)13-19-21-14(22-20-13)12-9(17)5-2-6-10(12)18/h1-6H
InChIKeyITQQWDCXHUCUSJ-UHFFFAOYSA-N
XLogP3.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine (CID 23362742) is 3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine is Fc1cccc(F)c1-c1nnc(-c2c(F)cccc2F)nn1.
What is the InChIKey of 3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine?
The InChIKey is ITQQWDCXHUCUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F4N4/c15-7-3-1-4-8(16)11(7)13-19-21-14(22-20-13)12-9(17)5-2-6-10(12)18/h1-6H.
What are the key properties of 3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine?
3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine has a molecular weight of 306.22 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine is sourced from PubChem (CID 23362742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).