phenylhydrazine;bis(2,2,2-trifluoroacetic acid)

C10H10F6N2O4 — CID 162301576

IUPACphenylhydrazine;bis(2,2,2-trifluoroacetic acid)
SMILESNNc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8N2.2C2HF3O2/c7-8-6-4-2-1-3-5-6;2*3-2(4,5)1(6)7/h1-5,8H,7H2;2*(H,6,7)
InChIKeyUDNSQWNBGPQUMO-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.24
Rot. Bonds1

About phenylhydrazine;bis(2,2,2-trifluoroacetic acid)

phenylhydrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 162301576) has the molecular formula C10H10F6N2O4 and a molecular weight of 336.19 g/mol. Its IUPAC name is phenylhydrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namephenylhydrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID162301576
Molecular FormulaC10H10F6N2O4
Molecular Weight336.19 g/mol
Exact Mass336.05
IUPAC Namephenylhydrazine;bis(2,2,2-trifluoroacetic acid)
SMILESNNc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8N2.2C2HF3O2/c7-8-6-4-2-1-3-5-6;2*3-2(4,5)1(6)7/h1-5,8H,7H2;2*(H,6,7)
InChIKeyUDNSQWNBGPQUMO-UHFFFAOYSA-N
XLogP2.24
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.24
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'}

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Frequently Asked Questions

What is the IUPAC name of phenylhydrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of phenylhydrazine;bis(2,2,2-trifluoroacetic acid) (CID 162301576) is phenylhydrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for phenylhydrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for phenylhydrazine;bis(2,2,2-trifluoroacetic acid) is NNc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of phenylhydrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is UDNSQWNBGPQUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.2C2HF3O2/c7-8-6-4-2-1-3-5-6;2*3-2(4,5)1(6)7/h1-5,8H,7H2;2*(H,6,7).
What are the key properties of phenylhydrazine;bis(2,2,2-trifluoroacetic acid)?
phenylhydrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 336.19 g/mol, XLogP of 2.24, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylhydrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 162301576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).