(6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine

C12H8F6N2 — CID 11055486

IUPAC(6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine
SMILESFC(F)(F)c1nnc(C(F)(F)F)c2c1/C=C\C/C=C\C2
InChIInChI=1S/C12H8F6N2/c13-11(14,15)9-7-5-3-1-2-4-6-8(7)10(20-19-9)12(16,17)18/h1,3-4,6H,2,5H2/b3-1-,6-4-
InChIKeyAVHAFLSWUHOIPH-OVYZBVKCSA-N
MW294.20 g/mol
LogP4.03
Rot. Bonds

About (6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine

(6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine (PubChem CID 11055486) has the molecular formula C12H8F6N2 and a molecular weight of 294.20 g/mol. Its IUPAC name is (6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine.

Molecular Properties

Compound Name(6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine
PubChem CID11055486
Molecular FormulaC12H8F6N2
Molecular Weight294.20 g/mol
Exact Mass294.06
IUPAC Name(6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine
SMILESFC(F)(F)c1nnc(C(F)(F)F)c2c1/C=C\C/C=C\C2
InChIInChI=1S/C12H8F6N2/c13-11(14,15)9-7-5-3-1-2-4-6-8(7)10(20-19-9)12(16,17)18/h1,3-4,6H,2,5H2/b3-1-,6-4-
InChIKeyAVHAFLSWUHOIPH-OVYZBVKCSA-N
XLogP4.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine?
The IUPAC name of (6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine (CID 11055486) is (6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine.
What is the SMILES notation for (6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine?
The canonical SMILES for (6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine is FC(F)(F)c1nnc(C(F)(F)F)c2c1/C=C\C/C=C\C2.
What is the InChIKey of (6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine?
The InChIKey is AVHAFLSWUHOIPH-OVYZBVKCSA-N. The full InChI is InChI=1S/C12H8F6N2/c13-11(14,15)9-7-5-3-1-2-4-6-8(7)10(20-19-9)12(16,17)18/h1,3-4,6H,2,5H2/b3-1-,6-4-.
What are the key properties of (6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine?
(6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine has a molecular weight of 294.20 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine is sourced from PubChem (CID 11055486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).