[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine

C12H17F3N2O — CID 105248935

IUPAC[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
SMILESCCOc1ccc(C(CCC(F)(F)F)NN)cc1
InChIInChI=1S/C12H17F3N2O/c1-2-18-10-5-3-9(4-6-10)11(17-16)7-8-12(13,14)15/h3-6,11,17H,2,7-8,16H2,1H3
InChIKeyCOUXTXQBWRUYPE-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.93
Rot. Bonds6

About [1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine

[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105248935) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105248935
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
SMILESCCOc1ccc(C(CCC(F)(F)F)NN)cc1
InChIInChI=1S/C12H17F3N2O/c1-2-18-10-5-3-9(4-6-10)11(17-16)7-8-12(13,14)15/h3-6,11,17H,2,7-8,16H2,1H3
InChIKeyCOUXTXQBWRUYPE-UHFFFAOYSA-N
XLogP2.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.93
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-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine
CID 105193990
[3-cyclohexyl-1-(4-ethoxyphenyl)propyl]hydrazine
CID 105300716
[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310823
1-(4-ethoxyphenyl)but-3-ynylhydrazine
CID 105281456
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
[1-(3-ethoxyphenyl)-4,4-dimethylpentyl]hydrazine
CID 105191999
1-(4-butoxyphenyl)pentylhydrazine
CID 105293831
1-(4-ethoxyphenyl)pent-3-ynylhydrazine
CID 105290586
1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 43197123
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine (CID 105248935) is [1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine is CCOc1ccc(C(CCC(F)(F)F)NN)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is COUXTXQBWRUYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-18-10-5-3-9(4-6-10)11(17-16)7-8-12(13,14)15/h3-6,11,17H,2,7-8,16H2,1H3.
What are the key properties of [1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine?
[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 262.27 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105248935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).