5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine

C12H8F6N2 — CID 15122026

IUPAC5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine
SMILESFC(F)(F)C1=NNC(C(F)(F)F)=C(c2ccccc2)C1
InChIInChI=1S/C12H8F6N2/c13-11(14,15)9-6-8(7-4-2-1-3-5-7)10(20-19-9)12(16,17)18/h1-5,20H,6H2
InChIKeyAIMYDRYTYRPPOX-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.87
Rot. Bonds1

About 5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine

5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine (PubChem CID 15122026) has the molecular formula C12H8F6N2 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine.

Molecular Properties

Compound Name5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine
PubChem CID15122026
Molecular FormulaC12H8F6N2
Molecular Weight294.20 g/mol
Exact Mass294.06
IUPAC Name5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine
SMILESFC(F)(F)C1=NNC(C(F)(F)F)=C(c2ccccc2)C1
InChIInChI=1S/C12H8F6N2/c13-11(14,15)9-6-8(7-4-2-1-3-5-7)10(20-19-9)12(16,17)18/h1-5,20H,6H2
InChIKeyAIMYDRYTYRPPOX-UHFFFAOYSA-N
XLogP3.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine
CID 85950781
4-Phenyl-3,6-bis(1,2,2,2-tetrafluoroethyl)-1,4-dihydropyridazine
CID 134979848
(3-Diazo-4,4,4-trifluorobutyl)benzene
CID 154719637
1,1,1-Trifluoro-3-phenylacetone thiosemicarbazone
CID 9585271
2,6-difluoro-4-phenyl-1H-triazine
CID 20337609
N-[(E)-(3,3-dimethyl-1-phenylbutylidene)amino]-1,1,1-trifluoromethanamine
CID 59350950
N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]-1,1,1-trifluoromethanamine
CID 59351059
6-methylidene-3-(3,4,5-trifluorophenyl)-1H-pyridazine
CID 68274500
N-[(3,3-dimethyl-1-phenylbutylidene)amino]-1,1,1-trifluoromethanamine
CID 72268056
1-Tert-butyl-2-[1-(2,3,4-trifluorophenyl)ethylidene]hydrazine
CID 86676808
2-methyl-N-[(Z)-1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine
CID 87411819
1,1,1-Trifluoro-4-phenylbutan-2-imine
CID 87498713

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine?
The IUPAC name of 5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine (CID 15122026) is 5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine.
What is the SMILES notation for 5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine?
The canonical SMILES for 5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine is FC(F)(F)C1=NNC(C(F)(F)F)=C(c2ccccc2)C1.
What is the InChIKey of 5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine?
The InChIKey is AIMYDRYTYRPPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2/c13-11(14,15)9-6-8(7-4-2-1-3-5-7)10(20-19-9)12(16,17)18/h1-5,20H,6H2.
What are the key properties of 5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine?
5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine has a molecular weight of 294.20 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,6-bis(trifluoromethyl)-1,4-dihydropyridazine is sourced from PubChem (CID 15122026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).