3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine

C10F16N2 — CID 12696948

IUPAC3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine
SMILESFc1nnc(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F16N2/c11-2-1(5(13,7(15,16)17)8(18,19)20)4(12)28-27-3(2)6(14,9(21,22)23)10(24,25)26
InChIKeyKXNCZQFCWOTPID-UHFFFAOYSA-N
MW452.09 g/mol
LogP5.33
Rot. Bonds2

About 3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine

3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine (PubChem CID 12696948) has the molecular formula C10F16N2 and a molecular weight of 452.09 g/mol. Its IUPAC name is 3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine.

Molecular Properties

Compound Name3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine
PubChem CID12696948
Molecular FormulaC10F16N2
Molecular Weight452.09 g/mol
Exact Mass451.98
IUPAC Name3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine
SMILESFc1nnc(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F16N2/c11-2-1(5(13,7(15,16)17)8(18,19)20)4(12)28-27-3(2)6(14,9(21,22)23)10(24,25)26
InChIKeyKXNCZQFCWOTPID-UHFFFAOYSA-N
XLogP5.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.09
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine?
The IUPAC name of 3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine (CID 12696948) is 3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine.
What is the SMILES notation for 3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine?
The canonical SMILES for 3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine is Fc1nnc(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine?
The InChIKey is KXNCZQFCWOTPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F16N2/c11-2-1(5(13,7(15,16)17)8(18,19)20)4(12)28-27-3(2)6(14,9(21,22)23)10(24,25)26.
What are the key properties of 3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine?
3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine has a molecular weight of 452.09 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridazine is sourced from PubChem (CID 12696948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).