3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine

C16H8F6N4 — CID 91060786

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccnnc3)nn2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H8F6N4/c17-15(18,19)11-5-10(6-12(7-11)16(20,21)22)14-2-1-13(25-26-14)9-3-4-23-24-8-9/h1-8H
InChIKeySJMLWSPLEFORPK-UHFFFAOYSA-N
MW370.26 g/mol
LogP4.64
Rot. Bonds2

About 3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine

3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine (PubChem CID 91060786) has the molecular formula C16H8F6N4 and a molecular weight of 370.26 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine
PubChem CID91060786
Molecular FormulaC16H8F6N4
Molecular Weight370.26 g/mol
Exact Mass370.07
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccnnc3)nn2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H8F6N4/c17-15(18,19)11-5-10(6-12(7-11)16(20,21)22)14-2-1-13(25-26-14)9-3-4-23-24-8-9/h1-8H
InChIKeySJMLWSPLEFORPK-UHFFFAOYSA-N
XLogP4.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine
CID 126486726
2,9-bis[3,5-bis(trifluoromethyl)phenyl]-1,10-phenanthroline
CID 23400643
3-[3,5-bis(trifluoromethyl)phenyl]isoquinoline
CID 138972935
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
1-[2-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-4,5-bis(2-oxoaziridin-1-yl)phenyl]aziridin-2-one
CID 172517412
2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 175845866
4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 143532720
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517299
3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 169133743
3-[6-[3,5-bis(trifluoromethyl)phenyl]pyridazin-3-yl]-9-cyclobutyl-3,9-diazaspiro[5.5]undecane
CID 59818730
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 41084935

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine (CID 91060786) is 3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine is FC(F)(F)c1cc(-c2ccc(-c3ccnnc3)nn2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine?
The InChIKey is SJMLWSPLEFORPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6N4/c17-15(18,19)11-5-10(6-12(7-11)16(20,21)22)14-2-1-13(25-26-14)9-3-4-23-24-8-9/h1-8H.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine?
3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine has a molecular weight of 370.26 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-6-pyridazin-4-ylpyridazine is sourced from PubChem (CID 91060786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).