sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine

C9H7F9N2O4S — CID 138619915

IUPACsulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine
SMILESNNc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/C9H5F9N2.H2O4S/c10-7(11,12)3-1-4(8(13,14)15)6(20-19)5(2-3)9(16,17)18;1-5(2,3)4/h1-2,20H,19H2;(H2,1,2,3,4)
InChIKeyGXDIPRKRJQPKQS-UHFFFAOYSA-N
MW410.21 g/mol
LogP3.38
Rot. Bonds1

About sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine

sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine (PubChem CID 138619915) has the molecular formula C9H7F9N2O4S and a molecular weight of 410.21 g/mol. Its IUPAC name is sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Namesulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine
PubChem CID138619915
Molecular FormulaC9H7F9N2O4S
Molecular Weight410.21 g/mol
Exact Mass410.00
IUPAC Namesulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine
SMILESNNc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/C9H5F9N2.H2O4S/c10-7(11,12)3-1-4(8(13,14)15)6(20-19)5(2-3)9(16,17)18;1-5(2,3)4/h1-2,20H,19H2;(H2,1,2,3,4)
InChIKeyGXDIPRKRJQPKQS-UHFFFAOYSA-N
XLogP3.38
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine (CID 138619915) is sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine is NNc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine?
The InChIKey is GXDIPRKRJQPKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F9N2.H2O4S/c10-7(11,12)3-1-4(8(13,14)15)6(20-19)5(2-3)9(16,17)18;1-5(2,3)4/h1-2,20H,19H2;(H2,1,2,3,4).
What are the key properties of sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine?
sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine has a molecular weight of 410.21 g/mol, XLogP of 3.38, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;[2,4,6-tris(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 138619915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).