[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine

C13H19F3N2O — CID 103025278

IUPAC[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-12(2,19-3)8-11(18-17)9-5-4-6-10(7-9)13(14,15)16/h4-7,11,18H,8,17H2,1-3H3
InChIKeyJDFZCGUCBYXRJS-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.02
Rot. Bonds5

About [3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine

[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine (PubChem CID 103025278) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is [3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine.

Molecular Properties

Compound Name[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine
PubChem CID103025278
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-12(2,19-3)8-11(18-17)9-5-4-6-10(7-9)13(14,15)16/h4-7,11,18H,8,17H2,1-3H3
InChIKeyJDFZCGUCBYXRJS-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(3-methoxy-3-methyl-1-phenylbutyl)hydrazine
CID 103025167
[2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193830
[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine
CID 105193980
[3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105301345
1-[3-(trifluoromethyl)phenyl]nonylhydrazine
CID 105193857
[1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 107130939
[1-(3,5-difluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025282
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 53402398
[2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193895
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025276

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine?
The IUPAC name of [3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine (CID 103025278) is [3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine.
What is the SMILES notation for [3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine?
The canonical SMILES for [3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine is COC(C)(C)CC(NN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine?
The InChIKey is JDFZCGUCBYXRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-12(2,19-3)8-11(18-17)9-5-4-6-10(7-9)13(14,15)16/h4-7,11,18H,8,17H2,1-3H3.
What are the key properties of [3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine?
[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine has a molecular weight of 276.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine is sourced from PubChem (CID 103025278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).