N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide

C2H2F3N5O2 — CID 154143416

IUPACN'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide
SMILES[N-]=[N+]=NN(O)NC(=O)C(F)(F)F
InChIInChI=1S/C2H2F3N5O2/c3-2(4,5)1(11)7-10(12)9-8-6/h12H,(H,7,11)
InChIKeyQYSFFRUFTZIRBX-UHFFFAOYSA-N
MW185.06 g/mol
LogP0.50
Rot. Bonds2

About N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide

N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide (PubChem CID 154143416) has the molecular formula C2H2F3N5O2 and a molecular weight of 185.06 g/mol. Its IUPAC name is N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide.

Molecular Properties

Compound NameN'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide
PubChem CID154143416
Molecular FormulaC2H2F3N5O2
Molecular Weight185.06 g/mol
Exact Mass185.02
IUPAC NameN'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide
SMILES[N-]=[N+]=NN(O)NC(=O)C(F)(F)F
InChIInChI=1S/C2H2F3N5O2/c3-2(4,5)1(11)7-10(12)9-8-6/h12H,(H,7,11)
InChIKeyQYSFFRUFTZIRBX-UHFFFAOYSA-N
XLogP0.50
TPSA101.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide?
The IUPAC name of N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide (CID 154143416) is N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide.
What is the SMILES notation for N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide?
The canonical SMILES for N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide is [N-]=[N+]=NN(O)NC(=O)C(F)(F)F.
What is the InChIKey of N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide?
The InChIKey is QYSFFRUFTZIRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3N5O2/c3-2(4,5)1(11)7-10(12)9-8-6/h12H,(H,7,11).
What are the key properties of N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide?
N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide has a molecular weight of 185.06 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-azido-2,2,2-trifluoro-N'-hydroxyacetohydrazide is sourced from PubChem (CID 154143416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).