[3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine

C15H23F3N2O — CID 105275446

IUPAC[3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
SMILESCCC(CC)(OC)C(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C15H23F3N2O/c1-4-14(5-2,21-3)13(20-19)10-11-6-8-12(9-7-11)15(16,17)18/h6-9,13,20H,4-5,10,19H2,1-3H3
InChIKeyWMJHFQQWKVEJRQ-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.29
Rot. Bonds7

About [3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine

[3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine (PubChem CID 105275446) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is [3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
PubChem CID105275446
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name[3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
SMILESCCC(CC)(OC)C(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C15H23F3N2O/c1-4-14(5-2,21-3)13(20-19)10-11-6-8-12(9-7-11)15(16,17)18/h6-9,13,20H,4-5,10,19H2,1-3H3
InChIKeyWMJHFQQWKVEJRQ-UHFFFAOYSA-N
XLogP3.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.29
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

3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 116752705
[2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105275560
[1-(4-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274321
[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105337979
[1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105195282
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598
3-ethyl-3-methoxy-N-methyl-1-phenylpentan-2-amine
CID 116760798
[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 102929755
[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105296950
1-(2-methyltellanylpropyl)-4-(trifluoromethyl)benzene
CID 23075300
[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 107066944
[3-ethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-yl]hydrazine
CID 105299684

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The IUPAC name of [3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine (CID 105275446) is [3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine.
What is the SMILES notation for [3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The canonical SMILES for [3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine is CCC(CC)(OC)C(Cc1ccc(C(F)(F)F)cc1)NN.
What is the InChIKey of [3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The InChIKey is WMJHFQQWKVEJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-4-14(5-2,21-3)13(20-19)10-11-6-8-12(9-7-11)15(16,17)18/h6-9,13,20H,4-5,10,19H2,1-3H3.
What are the key properties of [3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
[3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine has a molecular weight of 304.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine is sourced from PubChem (CID 105275446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).