N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide

C12H13F3N4O5 — CID 19892243

IUPACN'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H13F3N4O5/c1-11(2,3)10(20)17-16-9-7(18(21)22)4-6(12(13,14)15)5-8(9)19(23)24/h4-5,16H,1-3H3,(H,17,20)
InChIKeyUYTCBIBHIYIAJW-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.01
Rot. Bonds4

About N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide

N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide (PubChem CID 19892243) has the molecular formula C12H13F3N4O5 and a molecular weight of 350.25 g/mol. Its IUPAC name is N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide
PubChem CID19892243
Molecular FormulaC12H13F3N4O5
Molecular Weight350.25 g/mol
Exact Mass350.08
IUPAC NameN'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H13F3N4O5/c1-11(2,3)10(20)17-16-9-7(18(21)22)4-6(12(13,14)15)5-8(9)19(23)24/h4-5,16H,1-3H3,(H,17,20)
InChIKeyUYTCBIBHIYIAJW-UHFFFAOYSA-N
XLogP3.01
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.01
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'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide?
The IUPAC name of N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide (CID 19892243) is N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide?
The canonical SMILES for N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide is CC(C)(C)C(=O)NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide?
The InChIKey is UYTCBIBHIYIAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O5/c1-11(2,3)10(20)17-16-9-7(18(21)22)4-6(12(13,14)15)5-8(9)19(23)24/h4-5,16H,1-3H3,(H,17,20).
What are the key properties of N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide?
N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide has a molecular weight of 350.25 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 19892243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).