[1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

C12H18F3N3O — CID 103217657

IUPAC[1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCCc1ccc(CC(COCC(F)(F)F)NN)nc1
InChIInChI=1S/C12H18F3N3O/c1-2-9-3-4-10(17-6-9)5-11(18-16)7-19-8-12(13,14)15/h3-4,6,11,18H,2,5,7-8,16H2,1H3
InChIKeyRGTFNKPFIZQALU-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.60
Rot. Bonds7

About [1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

[1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (PubChem CID 103217657) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is [1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
PubChem CID103217657
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name[1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCCc1ccc(CC(COCC(F)(F)F)NN)nc1
InChIInChI=1S/C12H18F3N3O/c1-2-9-3-4-10(17-6-9)5-11(18-16)7-19-8-12(13,14)15/h3-4,6,11,18H,2,5,7-8,16H2,1H3
InChIKeyRGTFNKPFIZQALU-UHFFFAOYSA-N
XLogP1.60
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-ethyl-2-pyridinyl)-3-propoxypropan-2-yl]hydrazine
CID 105209932
[1-(3,5-dimethylphenyl)-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105212613
[1-(4-bromophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105195480
[1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105324383
[1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217379
[1-(5-ethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105212070
[1-phenyl-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217246
[1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274346
[1-(5-ethyl-2-pyridinyl)-4-phenoxybutan-2-yl]hydrazine
CID 105191374
1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79954795
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The IUPAC name of [1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (CID 103217657) is [1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The canonical SMILES for [1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is CCc1ccc(CC(COCC(F)(F)F)NN)nc1.
What is the InChIKey of [1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The InChIKey is RGTFNKPFIZQALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-2-9-3-4-10(17-6-9)5-11(18-16)7-19-8-12(13,14)15/h3-4,6,11,18H,2,5,7-8,16H2,1H3.
What are the key properties of [1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
[1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine has a molecular weight of 277.29 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is sourced from PubChem (CID 103217657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).