[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine

C13H18F4N2O — CID 107292433

IUPAC[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C(C)C)C(NN)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H18F4N2O/c1-7(2)12(20-3)11(19-18)8-4-5-9(10(14)6-8)13(15,16)17/h4-7,11-12,19H,18H2,1-3H3
InChIKeyHJXWPNKGAMXTGF-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.02
Rot. Bonds5

About [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine

[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine (PubChem CID 107292433) has the molecular formula C13H18F4N2O and a molecular weight of 294.29 g/mol. Its IUPAC name is [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine
PubChem CID107292433
Molecular FormulaC13H18F4N2O
Molecular Weight294.29 g/mol
Exact Mass294.14
IUPAC Name[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C(C)C)C(NN)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H18F4N2O/c1-7(2)12(20-3)11(19-18)8-4-5-9(10(14)6-8)13(15,16)17/h4-7,11-12,19H,18H2,1-3H3
InChIKeyHJXWPNKGAMXTGF-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
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

[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
CID 105325763
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 107288624
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methoxypentan-1-amine
CID 107291749
2-fluoro-4-[(1S)-1-isocyanatoethyl]-1-(trifluoromethyl)benzene
CID 154659564
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxy-N-propylbutan-1-amine
CID 107289310
2,2-diethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107289129
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
[1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropyl]hydrazine
CID 105257619
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 107292535
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
CID 107288626
[(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292542

Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine (CID 107292433) is [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine is COC(C(C)C)C(NN)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine?
The InChIKey is HJXWPNKGAMXTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N2O/c1-7(2)12(20-3)11(19-18)8-4-5-9(10(14)6-8)13(15,16)17/h4-7,11-12,19H,18H2,1-3H3.
What are the key properties of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine?
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine has a molecular weight of 294.29 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 [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 107292433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).