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

C14H9ClF2N4 — CID 129203900

IUPAC3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESFc1ccccc1C1=NNC(c2c(F)cccc2Cl)=NN1
InChIInChI=1S/C14H9ClF2N4/c15-9-5-3-7-11(17)12(9)14-20-18-13(19-21-14)8-4-1-2-6-10(8)16/h1-7H,(H,18,19)(H,20,21)
InChIKeyYTTCTQXUBIQJNQ-UHFFFAOYSA-N
MW306.70 g/mol
LogP2.83
Rot. Bonds2

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

3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (PubChem CID 129203900) has the molecular formula C14H9ClF2N4 and a molecular weight of 306.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
PubChem CID129203900
Molecular FormulaC14H9ClF2N4
Molecular Weight306.70 g/mol
Exact Mass306.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESFc1ccccc1C1=NNC(c2c(F)cccc2Cl)=NN1
InChIInChI=1S/C14H9ClF2N4/c15-9-5-3-7-11(17)12(9)14-20-18-13(19-21-14)8-4-1-2-6-10(8)16/h1-7H,(H,18,19)(H,20,21)
InChIKeyYTTCTQXUBIQJNQ-UHFFFAOYSA-N
XLogP2.83
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (CID 129203900) is 3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine is Fc1ccccc1C1=NNC(c2c(F)cccc2Cl)=NN1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The InChIKey is YTTCTQXUBIQJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N4/c15-9-5-3-7-11(17)12(9)14-20-18-13(19-21-14)8-4-1-2-6-10(8)16/h1-7H,(H,18,19)(H,20,21).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine has a molecular weight of 306.70 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine is sourced from PubChem (CID 129203900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).