1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine

C24H15Cl4F7N4 — CID 142445992

IUPAC1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine
SMILESC=C(c1ccc(/C(F)=C/C(c2cc(C)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F)N(N)c1cc(Cl)nnc1Cl
InChIInChI=1S/C24H15Cl4F7N4/c1-10-5-13(7-17(25)21(10)27)15(23(30,31)32)8-18(29)12-3-4-14(16(6-12)24(33,34)35)11(2)39(36)19-9-20(26)37-38-22(19)28/h3-9,15H,2,36H2,1H3/b18-8-
InChIKeyYJSUMJSSULNSOJ-LSCVHKIXSA-N
MW634.21 g/mol
LogP9.42
Rot. Bonds6

About 1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine

1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine (PubChem CID 142445992) has the molecular formula C24H15Cl4F7N4 and a molecular weight of 634.21 g/mol. Its IUPAC name is 1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine.

Molecular Properties

Compound Name1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine
PubChem CID142445992
Molecular FormulaC24H15Cl4F7N4
Molecular Weight634.21 g/mol
Exact Mass631.99
IUPAC Name1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine
SMILESC=C(c1ccc(/C(F)=C/C(c2cc(C)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F)N(N)c1cc(Cl)nnc1Cl
InChIInChI=1S/C24H15Cl4F7N4/c1-10-5-13(7-17(25)21(10)27)15(23(30,31)32)8-18(29)12-3-4-14(16(6-12)24(33,34)35)11(2)39(36)19-9-20(26)37-38-22(19)28/h3-9,15H,2,36H2,1H3/b18-8-
InChIKeyYJSUMJSSULNSOJ-LSCVHKIXSA-N
XLogP9.42
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.21
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine?
The IUPAC name of 1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine (CID 142445992) is 1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine.
What is the SMILES notation for 1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine?
The canonical SMILES for 1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine is C=C(c1ccc(/C(F)=C/C(c2cc(C)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F)N(N)c1cc(Cl)nnc1Cl.
What is the InChIKey of 1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine?
The InChIKey is YJSUMJSSULNSOJ-LSCVHKIXSA-N. The full InChI is InChI=1S/C24H15Cl4F7N4/c1-10-5-13(7-17(25)21(10)27)15(23(30,31)32)8-18(29)12-3-4-14(16(6-12)24(33,34)35)11(2)39(36)19-9-20(26)37-38-22(19)28/h3-9,15H,2,36H2,1H3/b18-8-.
What are the key properties of 1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine?
1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine has a molecular weight of 634.21 g/mol, XLogP of 9.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(Z)-3-(3,4-dichloro-5-methylphenyl)-1,4,4,4-tetrafluorobut-1-enyl]-2-(trifluoromethyl)phenyl]ethenyl]-1-(3,6-dichloropyridazin-4-yl)hydrazine is sourced from PubChem (CID 142445992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).