(5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine

C12H10F6N2 — CID 10803855

IUPAC(5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine
SMILESFC(F)(F)c1nnc(C(F)(F)F)c2c1/C=C\CCCC2
InChIInChI=1S/C12H10F6N2/c13-11(14,15)9-7-5-3-1-2-4-6-8(7)10(20-19-9)12(16,17)18/h3,5H,1-2,4,6H2/b5-3-
InChIKeyCOWIHUGDFMKQAB-HYXAFXHYSA-N
MW296.21 g/mol
LogP4.25
Rot. Bonds

About (5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine

(5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine (PubChem CID 10803855) has the molecular formula C12H10F6N2 and a molecular weight of 296.21 g/mol. Its IUPAC name is (5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine.

Molecular Properties

Compound Name(5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine
PubChem CID10803855
Molecular FormulaC12H10F6N2
Molecular Weight296.21 g/mol
Exact Mass296.07
IUPAC Name(5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine
SMILESFC(F)(F)c1nnc(C(F)(F)F)c2c1/C=C\CCCC2
InChIInChI=1S/C12H10F6N2/c13-11(14,15)9-7-5-3-1-2-4-6-8(7)10(20-19-9)12(16,17)18/h3,5H,1-2,4,6H2/b5-3-
InChIKeyCOWIHUGDFMKQAB-HYXAFXHYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine?
The IUPAC name of (5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine (CID 10803855) is (5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine.
What is the SMILES notation for (5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine?
The canonical SMILES for (5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine is FC(F)(F)c1nnc(C(F)(F)F)c2c1/C=C\CCCC2.
What is the InChIKey of (5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine?
The InChIKey is COWIHUGDFMKQAB-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H10F6N2/c13-11(14,15)9-7-5-3-1-2-4-6-8(7)10(20-19-9)12(16,17)18/h3,5H,1-2,4,6H2/b5-3-.
What are the key properties of (5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine?
(5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine has a molecular weight of 296.21 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine is sourced from PubChem (CID 10803855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).