1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine

C6H9F3N2O — CID 103217571

IUPAC1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine
SMILESC#CC(COCC(F)(F)F)NN
InChIInChI=1S/C6H9F3N2O/c1-2-5(11-10)3-12-4-6(7,8)9/h1,5,11H,3-4,10H2
InChIKeyOHYDNUXPRBFIMG-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.03
Rot. Bonds4

About 1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine

1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine (PubChem CID 103217571) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine
PubChem CID103217571
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine
SMILESC#CC(COCC(F)(F)F)NN
InChIInChI=1S/C6H9F3N2O/c1-2-5(11-10)3-12-4-6(7,8)9/h1,5,11H,3-4,10H2
InChIKeyOHYDNUXPRBFIMG-UHFFFAOYSA-N
XLogP0.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.03
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-2-(1,1,1-trifluoro-3-methoxypropan-2-yl)hydrazine
CID 124002349
[(2S)-1-(trifluoromethoxy)propan-2-yl]hydrazine
CID 178260184
1-(2,2,2-Trifluoroethoxy)hex-5-yn-3-ylhydrazine
CID 103151499
5-(2,2,2-Trifluoroethoxy)pent-1-yn-3-ylhydrazine
CID 103151586
1-(2,2-Difluoroethoxy)hex-5-yn-3-ylhydrazine
CID 103151821
5-(2,2-Difluoroethoxy)pent-1-yn-3-ylhydrazine
CID 103151910
1-(2,2,2-Trifluoroethoxy)pent-4-yn-2-ylhydrazine
CID 103217228
1-(2,2,2-Trifluoroethoxy)butan-2-ylhydrazine
CID 103217232
1-(2,2,2-Trifluoroethoxy)propan-2-ylhydrazine
CID 103217240
1-(2,2,2-Trifluoroethoxy)hex-4-yn-2-ylhydrazine
CID 103217323
1-(2,2,2-Trifluoroethoxy)hex-5-yn-2-ylhydrazine
CID 103217498
1-(2,2,2-Trifluoroethoxy)hept-5-yn-2-ylhydrazine
CID 103217767

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine (CID 103217571) is 1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine is C#CC(COCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine?
The InChIKey is OHYDNUXPRBFIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-2-5(11-10)3-12-4-6(7,8)9/h1,5,11H,3-4,10H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine?
1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine has a molecular weight of 182.14 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)but-3-yn-2-ylhydrazine is sourced from PubChem (CID 103217571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).