[2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid

C8H9F6N2O4P — CID 138620046

IUPAC[2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid
SMILESNNc1c(C(F)(F)F)cccc1C(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C8H6F6N2.H3O4P/c9-7(10,11)4-2-1-3-5(6(4)16-15)8(12,13)14;1-5(2,3)4/h1-3,16H,15H2;(H3,1,2,3,4)
InChIKeyXGNIBYZHDUVNEB-UHFFFAOYSA-N
MW342.13 g/mol
LogP2.08
Rot. Bonds1

About [2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid

[2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid (PubChem CID 138620046) has the molecular formula C8H9F6N2O4P and a molecular weight of 342.13 g/mol. Its IUPAC name is [2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid.

Molecular Properties

Compound Name[2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid
PubChem CID138620046
Molecular FormulaC8H9F6N2O4P
Molecular Weight342.13 g/mol
Exact Mass342.02
IUPAC Name[2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid
SMILESNNc1c(C(F)(F)F)cccc1C(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C8H6F6N2.H3O4P/c9-7(10,11)4-2-1-3-5(6(4)16-15)8(12,13)14;1-5(2,3)4/h1-3,16H,15H2;(H3,1,2,3,4)
InChIKeyXGNIBYZHDUVNEB-UHFFFAOYSA-N
XLogP2.08
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 52.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-3-(trifluoromethyl)phenol
CID 131057734
[2-iodo-6-(trifluoromethyl)phenyl]hydrazine
CID 118824550
methyl 2-hydrazinyl-3-(trifluoromethyl)benzoate
CID 170909561
1-amino-3-[2-chloro-6-(trifluoromethyl)phenyl]urea
CID 43164115
[2-fluoro-6-(trifluoromethyl)phenyl]urea
CID 83403332
2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide
CID 70608847
2-N-methyl-3-(trifluoromethyl)benzene-1,2-diamine
CID 121415871
[2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride
CID 84820116
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
1-[2-amino-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 98461840
[hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid
CID 70509742
3-[2-chloro-6-(trifluoromethyl)anilino]propanamide
CID 43152515

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid?
The IUPAC name of [2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid (CID 138620046) is [2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid.
What is the SMILES notation for [2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid?
The canonical SMILES for [2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid is NNc1c(C(F)(F)F)cccc1C(F)(F)F.O=P(O)(O)O.
What is the InChIKey of [2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid?
The InChIKey is XGNIBYZHDUVNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2.H3O4P/c9-7(10,11)4-2-1-3-5(6(4)16-15)8(12,13)14;1-5(2,3)4/h1-3,16H,15H2;(H3,1,2,3,4).
What are the key properties of [2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid?
[2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid has a molecular weight of 342.13 g/mol, XLogP of 2.08, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(trifluoromethyl)phenyl]hydrazine;phosphoric acid is sourced from PubChem (CID 138620046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).