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

C14H8F4N4 — CID 23362748

IUPAC3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESFc1cccc(F)c1C1=NNC(c2c(F)cccc2F)=NN1
InChIInChI=1S/C14H8F4N4/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,(H,19,20)(H,21,22)
InChIKeyFRAMJFXLVQYTRT-UHFFFAOYSA-N
MW308.24 g/mol
LogP2.46
Rot. Bonds2

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

3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (PubChem CID 23362748) has the molecular formula C14H8F4N4 and a molecular weight of 308.24 g/mol. Its IUPAC name is 3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
PubChem CID23362748
Molecular FormulaC14H8F4N4
Molecular Weight308.24 g/mol
Exact Mass308.07
IUPAC Name3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESFc1cccc(F)c1C1=NNC(c2c(F)cccc2F)=NN1
InChIInChI=1S/C14H8F4N4/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,(H,19,20)(H,21,22)
InChIKeyFRAMJFXLVQYTRT-UHFFFAOYSA-N
XLogP2.46
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (CID 23362748) is 3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine is Fc1cccc(F)c1C1=NNC(c2c(F)cccc2F)=NN1.
What is the InChIKey of 3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The InChIKey is FRAMJFXLVQYTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N4/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,(H,19,20)(H,21,22).
What are the key properties of 3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine has a molecular weight of 308.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine is sourced from PubChem (CID 23362748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).