trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide

C7H6BF4N2- — CID 168531566

IUPACtrifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide
SMILESNN=Cc1ccc(F)cc1[B-](F)(F)F
InChIInChI=1S/C7H6BF4N2/c9-6-2-1-5(4-14-13)7(3-6)8(10,11)12/h1-4H,13H2/q-1
InChIKeyUDMDAWWXDLBJIM-UHFFFAOYSA-N
MW204.94 g/mol
LogP1.17
Rot. Bonds2

About trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide

trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide (PubChem CID 168531566) has the molecular formula C7H6BF4N2- and a molecular weight of 204.94 g/mol. Its IUPAC name is trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide
PubChem CID168531566
Molecular FormulaC7H6BF4N2-
Molecular Weight204.94 g/mol
Exact Mass205.06
IUPAC Nametrifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide
SMILESNN=Cc1ccc(F)cc1[B-](F)(F)F
InChIInChI=1S/C7H6BF4N2/c9-6-2-1-5(4-14-13)7(3-6)8(10,11)12/h1-4H,13H2/q-1
InChIKeyUDMDAWWXDLBJIM-UHFFFAOYSA-N
XLogP1.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.94
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide?
The IUPAC name of trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide (CID 168531566) is trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide.
What is the SMILES notation for trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide?
The canonical SMILES for trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide is NN=Cc1ccc(F)cc1[B-](F)(F)F.
What is the InChIKey of trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide?
The InChIKey is UDMDAWWXDLBJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF4N2/c9-6-2-1-5(4-14-13)7(3-6)8(10,11)12/h1-4H,13H2/q-1.
What are the key properties of trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide?
trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide has a molecular weight of 204.94 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(5-fluoro-2-methanehydrazonoylphenyl)boranuide is sourced from PubChem (CID 168531566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).