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

C14H10F2N4 — CID 12912719

IUPAC3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESFc1ccccc1C1=NNC(c2ccccc2F)=NN1
InChIInChI=1S/C14H10F2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H,(H,17,18)(H,19,20)
InChIKeyREWQLZBEOVCCKB-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.18
Rot. Bonds2

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

3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (PubChem CID 12912719) has the molecular formula C14H10F2N4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
PubChem CID12912719
Molecular FormulaC14H10F2N4
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESFc1ccccc1C1=NNC(c2ccccc2F)=NN1
InChIInChI=1S/C14H10F2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H,(H,17,18)(H,19,20)
InChIKeyREWQLZBEOVCCKB-UHFFFAOYSA-N
XLogP2.18
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.18
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-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (CID 12912719) is 3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine is Fc1ccccc1C1=NNC(c2ccccc2F)=NN1.
What is the InChIKey of 3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The InChIKey is REWQLZBEOVCCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H,(H,17,18)(H,19,20).
What are the key properties of 3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
3,6-bis(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine has a molecular weight of 272.26 g/mol, XLogP of 2.18, 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-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine is sourced from PubChem (CID 12912719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).