[2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine

C13H20F3N3O — CID 102710430

IUPAC[2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
SMILESCCOC(C(C)C)C(NN)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H20F3N3O/c1-4-20-12(8(2)3)11(19-17)9-7-18-6-5-10(9)13(14,15)16/h5-8,11-12,19H,4,17H2,1-3H3
InChIKeyYRSKLDUUOVQQAA-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.67
Rot. Bonds6

About [2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine

[2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine (PubChem CID 102710430) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is [2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine.

Molecular Properties

Compound Name[2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
PubChem CID102710430
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name[2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
SMILESCCOC(C(C)C)C(NN)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H20F3N3O/c1-4-20-12(8(2)3)11(19-17)9-7-18-6-5-10(9)13(14,15)16/h5-8,11-12,19H,4,17H2,1-3H3
InChIKeyYRSKLDUUOVQQAA-UHFFFAOYSA-N
XLogP2.67
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710327
[2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]hexyl]hydrazine
CID 114247323
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349
[2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine
CID 102710309
[1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine
CID 107516521
N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 114222081
[2-ethoxy-1-(3-fluoro-4-pyridinyl)propyl]hydrazine
CID 105222856
1-[4-(trifluoromethyl)-3-pyridinyl]nonylhydrazine
CID 102710491
2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 102707914
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
3-(2-ethoxy-1-hydrazinyl-3-methylbutyl)-5-methylpyridin-2-amine
CID 105272591
[4-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
CID 102710333

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine?
The IUPAC name of [2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine (CID 102710430) is [2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine.
What is the SMILES notation for [2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine?
The canonical SMILES for [2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine is CCOC(C(C)C)C(NN)c1cnccc1C(F)(F)F.
What is the InChIKey of [2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine?
The InChIKey is YRSKLDUUOVQQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-4-20-12(8(2)3)11(19-17)9-7-18-6-5-10(9)13(14,15)16/h5-8,11-12,19H,4,17H2,1-3H3.
What are the key properties of [2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine?
[2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine has a molecular weight of 291.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine is sourced from PubChem (CID 102710430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).