[3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine

C11H11F7N2O — CID 103312886

IUPAC[3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine
SMILESCOc1cccc(C(NN)C(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C11H11F7N2O/c1-21-6-4-2-3-5(7(6)12)8(20-19)9(10(13,14)15)11(16,17)18/h2-4,8-9,20H,19H2,1H3
InChIKeyMVCYHERQLUQGEG-UHFFFAOYSA-N
MW320.21 g/mol
LogP3.08
Rot. Bonds4

About [3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine

[3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine (PubChem CID 103312886) has the molecular formula C11H11F7N2O and a molecular weight of 320.21 g/mol. Its IUPAC name is [3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine.

Molecular Properties

Compound Name[3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine
PubChem CID103312886
Molecular FormulaC11H11F7N2O
Molecular Weight320.21 g/mol
Exact Mass320.08
IUPAC Name[3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine
SMILESCOc1cccc(C(NN)C(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C11H11F7N2O/c1-21-6-4-2-3-5(7(6)12)8(20-19)9(10(13,14)15)11(16,17)18/h2-4,8-9,20H,19H2,1H3
InChIKeyMVCYHERQLUQGEG-UHFFFAOYSA-N
XLogP3.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 53.08
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-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312781
[2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-3-methylbutyl]hydrazine
CID 105272393
[(2-fluoro-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105329259
1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 105024933
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
3,3,3-trifluoro-1-(2-methoxyphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103311703
[(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329407
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylpropan-1-amine
CID 82807508
methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate
CID 171225303
[(2-chloro-6-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329251
[3-bicyclo[3.1.0]hexanyl-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329307
[(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105329391

Frequently Asked Questions

What is the IUPAC name of [3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine?
The IUPAC name of [3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine (CID 103312886) is [3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine.
What is the SMILES notation for [3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine?
The canonical SMILES for [3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine is COc1cccc(C(NN)C(C(F)(F)F)C(F)(F)F)c1F.
What is the InChIKey of [3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine?
The InChIKey is MVCYHERQLUQGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F7N2O/c1-21-6-4-2-3-5(7(6)12)8(20-19)9(10(13,14)15)11(16,17)18/h2-4,8-9,20H,19H2,1H3.
What are the key properties of [3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine?
[3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine has a molecular weight of 320.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine is sourced from PubChem (CID 103312886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).