N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane

C19H34F3N3O — CID 142529747

IUPACN-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane
SMILESCC.CC.CC(C)(CC(F)(F)F)C(C)(C)C(=O)N(N)c1ccccc1N
InChIInChI=1S/C15H22F3N3O.2C2H6/c1-13(2,9-15(16,17)18)14(3,4)12(22)21(20)11-8-6-5-7-10(11)19;2*1-2/h5-8H,9,19-20H2,1-4H3;2*1-2H3
InChIKeyJPMQBMYQXPWJDD-UHFFFAOYSA-N
MW377.50 g/mol
LogP5.53
Rot. Bonds4

About N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane

N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane (PubChem CID 142529747) has the molecular formula C19H34F3N3O and a molecular weight of 377.50 g/mol. Its IUPAC name is N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane.

Molecular Properties

Compound NameN-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane
PubChem CID142529747
Molecular FormulaC19H34F3N3O
Molecular Weight377.50 g/mol
Exact Mass377.27
IUPAC NameN-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane
SMILESCC.CC.CC(C)(CC(F)(F)F)C(C)(C)C(=O)N(N)c1ccccc1N
InChIInChI=1S/C15H22F3N3O.2C2H6/c1-13(2,9-15(16,17)18)14(3,4)12(22)21(20)11-8-6-5-7-10(11)19;2*1-2/h5-8H,9,19-20H2,1-4H3;2*1-2H3
InChIKeyJPMQBMYQXPWJDD-UHFFFAOYSA-N
XLogP5.53
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.50
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane?
The IUPAC name of N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane (CID 142529747) is N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane.
What is the SMILES notation for N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane?
The canonical SMILES for N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane is CC.CC.CC(C)(CC(F)(F)F)C(C)(C)C(=O)N(N)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane?
The InChIKey is JPMQBMYQXPWJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O.2C2H6/c1-13(2,9-15(16,17)18)14(3,4)12(22)21(20)11-8-6-5-7-10(11)19;2*1-2/h5-8H,9,19-20H2,1-4H3;2*1-2H3.
What are the key properties of N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane?
N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane has a molecular weight of 377.50 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane is sourced from PubChem (CID 142529747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).