N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide

C8H5F3N4O5 — CID 3112674

IUPACN'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C8H5F3N4O5/c9-8(10,11)7(16)13-12-5-2-1-4(14(17)18)3-6(5)15(19)20/h1-3,12H,(H,13,16)
InChIKeyKOBJMKXHLCNUJR-UHFFFAOYSA-N
MW294.15 g/mol
LogP1.51
Rot. Bonds4

About N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide

N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide (PubChem CID 3112674) has the molecular formula C8H5F3N4O5 and a molecular weight of 294.15 g/mol. Its IUPAC name is N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound NameN'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide
PubChem CID3112674
Molecular FormulaC8H5F3N4O5
Molecular Weight294.15 g/mol
Exact Mass294.02
IUPAC NameN'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C8H5F3N4O5/c9-8(10,11)7(16)13-12-5-2-1-4(14(17)18)3-6(5)15(19)20/h1-3,12H,(H,13,16)
InChIKeyKOBJMKXHLCNUJR-UHFFFAOYSA-N
XLogP1.51
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide?
The IUPAC name of N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide (CID 3112674) is N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide.
What is the SMILES notation for N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide?
The canonical SMILES for N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide is O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F.
What is the InChIKey of N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide?
The InChIKey is KOBJMKXHLCNUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O5/c9-8(10,11)7(16)13-12-5-2-1-4(14(17)18)3-6(5)15(19)20/h1-3,12H,(H,13,16).
What are the key properties of N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide?
N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide has a molecular weight of 294.15 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dinitrophenyl)-2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 3112674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).