[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine

C13H19F3N2O2 — CID 114033159

IUPAC[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
SMILESCOCCOCC(Cc1cccc(C(F)(F)F)c1)NN
InChIInChI=1S/C13H19F3N2O2/c1-19-5-6-20-9-12(18-17)8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7,12,18H,5-6,8-9,17H2,1H3
InChIKeyOFKWHAVEKAJVDA-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.74
Rot. Bonds8

About [1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine

[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine (PubChem CID 114033159) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is [1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
PubChem CID114033159
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
SMILESCOCCOCC(Cc1cccc(C(F)(F)F)c1)NN
InChIInChI=1S/C13H19F3N2O2/c1-19-5-6-20-9-12(18-17)8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7,12,18H,5-6,8-9,17H2,1H3
InChIKeyOFKWHAVEKAJVDA-UHFFFAOYSA-N
XLogP1.74
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105207214
[4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 103151932
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 102929755
[1-(furan-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105235150
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105253379
[1-phenyl-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217246
3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105293250
5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 105123547

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
The IUPAC name of [1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine (CID 114033159) is [1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine is COCCOCC(Cc1cccc(C(F)(F)F)c1)NN.
What is the InChIKey of [1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
The InChIKey is OFKWHAVEKAJVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-19-5-6-20-9-12(18-17)8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7,12,18H,5-6,8-9,17H2,1H3.
What are the key properties of [1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine has a molecular weight of 292.30 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine is sourced from PubChem (CID 114033159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).