3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine

C16H12F2N4 — CID 169224852

IUPAC3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine
SMILESFC(c1ccccc1)c1nnc(C(F)c2ccccc2)nn1
InChIInChI=1S/C16H12F2N4/c17-13(11-7-3-1-4-8-11)15-19-21-16(22-20-15)14(18)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyGPZUYDWZSMYKTE-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.38
Rot. Bonds4

About 3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine

3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine (PubChem CID 169224852) has the molecular formula C16H12F2N4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine
PubChem CID169224852
Molecular FormulaC16H12F2N4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine
SMILESFC(c1ccccc1)c1nnc(C(F)c2ccccc2)nn1
InChIInChI=1S/C16H12F2N4/c17-13(11-7-3-1-4-8-11)15-19-21-16(22-20-15)14(18)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyGPZUYDWZSMYKTE-UHFFFAOYSA-N
XLogP3.38
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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magnesium;benzhydrylsilane;hydride
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1-[fluoro(phenyl)methyl]-3-methylbenzene
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benzhydrylalumane
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[fluoro-[fluoro(phenyl)methoxy]methyl]benzene
CID 57162404
N,N,N',N'-tetrafluoro-1,2-diphenylethane-1,2-diamine
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(1,3-difluoro-1,3-diphenylpropan-2-yl)benzene
CID 101190524
3-fluorobutan-2-ylbenzene
CID 159211068
(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
(1R,2R)-2-fluoro-1,2-diphenylethanamine
CID 12617058
(1-chloro-2,2,3,3-tetrafluoropropyl)benzene
CID 79659838

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine (CID 169224852) is 3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine is FC(c1ccccc1)c1nnc(C(F)c2ccccc2)nn1.
What is the InChIKey of 3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine?
The InChIKey is GPZUYDWZSMYKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4/c17-13(11-7-3-1-4-8-11)15-19-21-16(22-20-15)14(18)12-9-5-2-6-10-12/h1-10,13-14H.
What are the key properties of 3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine?
3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine has a molecular weight of 298.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[fluoro(phenyl)methyl]-1,2,4,5-tetrazine is sourced from PubChem (CID 169224852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).