(1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide

C9H3BrCl2F6N2 — CID 14280185

IUPAC(1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide
SMILESFC(F)(F)/C(Br)=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H3BrCl2F6N2/c10-7(9(16,17)18)20-19-6-4(11)1-3(2-5(6)12)8(13,14)15/h1-2,19H/b20-7-
InChIKeyFUQCNQSPWAXPTL-SCDVKCJHSA-N
MW403.94 g/mol
LogP5.69
Rot. Bonds2

About (1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide

(1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide (PubChem CID 14280185) has the molecular formula C9H3BrCl2F6N2 and a molecular weight of 403.94 g/mol. Its IUPAC name is (1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide.

Molecular Properties

Compound Name(1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide
PubChem CID14280185
Molecular FormulaC9H3BrCl2F6N2
Molecular Weight403.94 g/mol
Exact Mass401.88
IUPAC Name(1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide
SMILESFC(F)(F)/C(Br)=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H3BrCl2F6N2/c10-7(9(16,17)18)20-19-6-4(11)1-3(2-5(6)12)8(13,14)15/h1-2,19H/b20-7-
InChIKeyFUQCNQSPWAXPTL-SCDVKCJHSA-N
XLogP5.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.94
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide?
The IUPAC name of (1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide (CID 14280185) is (1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide.
What is the SMILES notation for (1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide?
The canonical SMILES for (1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide is FC(F)(F)/C(Br)=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of (1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide?
The InChIKey is FUQCNQSPWAXPTL-SCDVKCJHSA-N. The full InChI is InChI=1S/C9H3BrCl2F6N2/c10-7(9(16,17)18)20-19-6-4(11)1-3(2-5(6)12)8(13,14)15/h1-2,19H/b20-7-.
What are the key properties of (1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide?
(1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide has a molecular weight of 403.94 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanehydrazonoyl bromide is sourced from PubChem (CID 14280185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).