[2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine

C14H21F3N2O — CID 105275560

IUPAC[2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine
SMILESCCC(CC)(OC)C(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2O/c1-4-13(5-2,20-3)12(19-18)10-6-8-11(9-7-10)14(15,16)17/h6-9,12,19H,4-5,18H2,1-3H3
InChIKeyMOQHNRGXFPALEF-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.41
Rot. Bonds6

About [2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine

[2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine (PubChem CID 105275560) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is [2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine
PubChem CID105275560
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name[2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine
SMILESCCC(CC)(OC)C(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2O/c1-4-13(5-2,20-3)12(19-18)10-6-8-11(9-7-10)14(15,16)17/h6-9,12,19H,4-5,18H2,1-3H3
InChIKeyMOQHNRGXFPALEF-UHFFFAOYSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.41
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-ethyl-2-methoxy-1-(4-methoxyphenyl)butyl]hydrazine
CID 105275411
3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine
CID 105241879
[3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105275446
[1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine
CID 105275488
[1-(3,5-dimethylphenyl)-2-ethyl-2-methoxybutyl]hydrazine
CID 105275534
3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 116752705
2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79197895
[2-propoxy-1-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105210159
[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302324
[2,2-dimethyl-1-(4-methylphenyl)butyl]hydrazine
CID 105285455
[2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine
CID 105274791
[1-(2,3-dimethylphenyl)-2-ethyl-2-methoxybutyl]hydrazine
CID 105275305

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine?
The IUPAC name of [2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine (CID 105275560) is [2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine.
What is the SMILES notation for [2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine?
The canonical SMILES for [2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine is CCC(CC)(OC)C(NN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine?
The InChIKey is MOQHNRGXFPALEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-4-13(5-2,20-3)12(19-18)10-6-8-11(9-7-10)14(15,16)17/h6-9,12,19H,4-5,18H2,1-3H3.
What are the key properties of [2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine?
[2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine has a molecular weight of 290.33 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine is sourced from PubChem (CID 105275560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).