3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine

C10H10F6N2 — CID 154190079

IUPAC3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine
SMILESCc1nnc(CC(F)(F)F)c(CC(F)(F)F)c1C
InChIInChI=1S/C10H10F6N2/c1-5-6(2)17-18-8(4-10(14,15)16)7(5)3-9(11,12)13/h3-4H2,1-2H3
InChIKeyFBNWPPDJAXYHIJ-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.30
Rot. Bonds2

About 3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine

3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine (PubChem CID 154190079) has the molecular formula C10H10F6N2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine.

Molecular Properties

Compound Name3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine
PubChem CID154190079
Molecular FormulaC10H10F6N2
Molecular Weight272.19 g/mol
Exact Mass272.07
IUPAC Name3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine
SMILESCc1nnc(CC(F)(F)F)c(CC(F)(F)F)c1C
InChIInChI=1S/C10H10F6N2/c1-5-6(2)17-18-8(4-10(14,15)16)7(5)3-9(11,12)13/h3-4H2,1-2H3
InChIKeyFBNWPPDJAXYHIJ-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-3,6-bis(trifluoromethyl)pyridazine
CID 71374916
Tetramethylpyridazine
CID 12750033
4,5-Diazaindan, 6,7-dimethyl-
CID 58890735
1,4-Dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 90182986
(5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine
CID 10803855
Perfluoro(3,5-diisopropylpyridazine)
CID 12696948
3,6-Bis(trifluoromethyl)-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene
CID 15665407
[3,6-Bis(trifluoromethyl)-5-trimethylstannylpyridazin-4-yl]-trimethylstannane
CID 21731571
Cinnoline, 5,6,7,8-tetrahydro-3,4-dimethyl-
CID 165339766
(6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine
CID 11055486
3,4,5,6-Tetrakis(trifluoromethyl)pyridazine
CID 12633182
4-(1,1-Difluoroethyl)-3,6-dimethylpyridazine
CID 117864780

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine?
The IUPAC name of 3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine (CID 154190079) is 3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine.
What is the SMILES notation for 3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine?
The canonical SMILES for 3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine is Cc1nnc(CC(F)(F)F)c(CC(F)(F)F)c1C.
What is the InChIKey of 3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine?
The InChIKey is FBNWPPDJAXYHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2/c1-5-6(2)17-18-8(4-10(14,15)16)7(5)3-9(11,12)13/h3-4H2,1-2H3.
What are the key properties of 3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine?
3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine has a molecular weight of 272.19 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5,6-bis(2,2,2-trifluoroethyl)pyridazine is sourced from PubChem (CID 154190079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).