[1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

C15H23F3N2O — CID 103217379

IUPAC[1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCC(C)(C)c1ccc(CC(COCC(F)(F)F)NN)cc1
InChIInChI=1S/C15H23F3N2O/c1-14(2,3)12-6-4-11(5-7-12)8-13(20-19)9-21-10-15(16,17)18/h4-7,13,20H,8-10,19H2,1-3H3
InChIKeyUODAQBPTSUIWBC-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.94
Rot. Bonds6

About [1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

[1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (PubChem CID 103217379) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
PubChem CID103217379
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name[1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCC(C)(C)c1ccc(CC(COCC(F)(F)F)NN)cc1
InChIInChI=1S/C15H23F3N2O/c1-14(2,3)12-6-4-11(5-7-12)8-13(20-19)9-21-10-15(16,17)18/h4-7,13,20H,8-10,19H2,1-3H3
InChIKeyUODAQBPTSUIWBC-UHFFFAOYSA-N
XLogP2.94
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.94
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

[1-phenyl-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217246
[1-(4-tert-butylphenyl)-3-methoxypropan-2-yl]hydrazine
CID 105207262
[1-(4-tert-butylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105296584
[1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217657
[1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105195282
N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214563
[1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217827
3-(4-tert-butylphenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244796
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598
[1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217630
4-(4-tert-butylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259266
[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 102929755

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (CID 103217379) is [1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is CC(C)(C)c1ccc(CC(COCC(F)(F)F)NN)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The InChIKey is UODAQBPTSUIWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-14(2,3)12-6-4-11(5-7-12)8-13(20-19)9-21-10-15(16,17)18/h4-7,13,20H,8-10,19H2,1-3H3.
What are the key properties of [1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
[1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine has a molecular weight of 304.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is sourced from PubChem (CID 103217379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).