1-[4-(trifluoromethoxy)phenyl]butylhydrazine

C11H15F3N2O — CID 105282256

IUPAC1-[4-(trifluoromethoxy)phenyl]butylhydrazine
SMILESCCCC(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O/c1-2-3-10(16-15)8-4-6-9(7-5-8)17-11(12,13)14/h4-7,10,16H,2-3,15H2,1H3
InChIKeyCGXLOKVSHRWEBW-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.89
Rot. Bonds5

About 1-[4-(trifluoromethoxy)phenyl]butylhydrazine

1-[4-(trifluoromethoxy)phenyl]butylhydrazine (PubChem CID 105282256) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]butylhydrazine.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]butylhydrazine
PubChem CID105282256
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-[4-(trifluoromethoxy)phenyl]butylhydrazine
SMILESCCCC(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O/c1-2-3-10(16-15)8-4-6-9(7-5-8)17-11(12,13)14/h4-7,10,16H,2-3,15H2,1H3
InChIKeyCGXLOKVSHRWEBW-UHFFFAOYSA-N
XLogP2.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.89
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

[2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105321443
1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine
CID 105307892
[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105290912
1-[4-(trifluoromethoxy)phenyl]hex-5-enylhydrazine
CID 105311316
[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
CID 105319572
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
2-[4-(trifluoromethoxy)phenyl]hexan-3-amine
CID 83048255
N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115832666
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105248935
3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 65148408
[2,2-dimethyl-1-[4-(trifluoromethoxy)phenyl]propyl]hydrazine
CID 105305314

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]butylhydrazine?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]butylhydrazine (CID 105282256) is 1-[4-(trifluoromethoxy)phenyl]butylhydrazine.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]butylhydrazine?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]butylhydrazine is CCCC(NN)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]butylhydrazine?
The InChIKey is CGXLOKVSHRWEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-2-3-10(16-15)8-4-6-9(7-5-8)17-11(12,13)14/h4-7,10,16H,2-3,15H2,1H3.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]butylhydrazine?
1-[4-(trifluoromethoxy)phenyl]butylhydrazine has a molecular weight of 248.25 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]butylhydrazine is sourced from PubChem (CID 105282256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).