[2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine

C11H15F3N2O — CID 105245230

IUPAC[2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
SMILESCOC(C)(C)C(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H15F3N2O/c1-11(2,17-3)10(16-15)6-4-5-7(12)9(14)8(6)13/h4-5,10,16H,15H2,1-3H3
InChIKeyPKFLJHXSCIRETH-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.03
Rot. Bonds4

About [2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine

[2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine (PubChem CID 105245230) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is [2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine.

Molecular Properties

Compound Name[2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
PubChem CID105245230
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name[2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
SMILESCOC(C)(C)C(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H15F3N2O/c1-11(2,17-3)10(16-15)6-4-5-7(12)9(14)8(6)13/h4-5,10,16H,15H2,1-3H3
InChIKeyPKFLJHXSCIRETH-UHFFFAOYSA-N
XLogP2.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2,6-difluoro-3-methylphenyl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245299
[(2-fluoro-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105329259
[2-methoxy-1-(2-methoxyphenyl)-2-methylpropyl]hydrazine
CID 105245221
[1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 107541408
[1-(2,3-dimethylphenyl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245265
[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274485
[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine
CID 105305658
[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
CID 105224914
[1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 107516698
[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305698
[(2,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105216507
1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197204

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine?
The IUPAC name of [2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine (CID 105245230) is [2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine.
What is the SMILES notation for [2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine?
The canonical SMILES for [2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine is COC(C)(C)C(NN)c1ccc(F)c(F)c1F.
What is the InChIKey of [2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine?
The InChIKey is PKFLJHXSCIRETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-11(2,17-3)10(16-15)6-4-5-7(12)9(14)8(6)13/h4-5,10,16H,15H2,1-3H3.
What are the key properties of [2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine?
[2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine has a molecular weight of 248.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine is sourced from PubChem (CID 105245230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).