(Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine

C12H10F4N2 — CID 117069478

IUPAC(Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine
SMILESN/N=C1/CC2CCC1c1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C12H10F4N2/c13-9-7-4-1-2-5(6(3-4)18-17)8(7)10(14)12(16)11(9)15/h4-5H,1-3,17H2/b18-6-
InChIKeyJZJYWYFCRKVDJU-FXBPXSCXSA-N
MW258.22 g/mol
LogP2.92
Rot. Bonds

About (Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine

(Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine (PubChem CID 117069478) has the molecular formula C12H10F4N2 and a molecular weight of 258.22 g/mol. Its IUPAC name is (Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine.

Molecular Properties

Compound Name(Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine
PubChem CID117069478
Molecular FormulaC12H10F4N2
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name(Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine
SMILESN/N=C1/CC2CCC1c1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C12H10F4N2/c13-9-7-4-1-2-5(6(3-4)18-17)8(7)10(14)12(16)11(9)15/h4-5H,1-3,17H2/b18-6-
InChIKeyJZJYWYFCRKVDJU-FXBPXSCXSA-N
XLogP2.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine?
The IUPAC name of (Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine (CID 117069478) is (Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine.
What is the SMILES notation for (Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine?
The canonical SMILES for (Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine is N/N=C1/CC2CCC1c1c(F)c(F)c(F)c(F)c12.
What is the InChIKey of (Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine?
The InChIKey is JZJYWYFCRKVDJU-FXBPXSCXSA-N. The full InChI is InChI=1S/C12H10F4N2/c13-9-7-4-1-2-5(6(3-4)18-17)8(7)10(14)12(16)11(9)15/h4-5H,1-3,17H2/b18-6-.
What are the key properties of (Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine?
(Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine has a molecular weight of 258.22 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine is sourced from PubChem (CID 117069478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).