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

C6H11F3N2O — CID 103217597

IUPAC1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine
SMILESC=CC(COCC(F)(F)F)NN
InChIInChI=1S/C6H11F3N2O/c1-2-5(11-10)3-12-4-6(7,8)9/h2,5,11H,1,3-4,10H2
InChIKeyGRSWZCBZAZEYGS-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.58
Rot. Bonds5

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

1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine (PubChem CID 103217597) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine
PubChem CID103217597
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine
SMILESC=CC(COCC(F)(F)F)NN
InChIInChI=1S/C6H11F3N2O/c1-2-5(11-10)3-12-4-6(7,8)9/h2,5,11H,1,3-4,10H2
InChIKeyGRSWZCBZAZEYGS-UHFFFAOYSA-N
XLogP0.58
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,3-Dihydrofuran-5-yl)-2,2-difluoroethyl]hydrazine
CID 102654311
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-ylhydrazine
CID 103151489
5-(2,2-Difluoroethoxy)pent-1-en-3-ylhydrazine
CID 103151808
1-(2,2,2-Trifluoroethoxy)but-3-en-2-amine
CID 103215662
1-(2,2,2-Trifluoroethoxy)pent-4-en-2-ylhydrazine
CID 103217312
1-(2,2,2-Trifluoroethoxy)hex-5-en-2-ylhydrazine
CID 103217533
[4-Methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-yl]hydrazine
CID 103217615
[3-Methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine
CID 103217617
1-(2,2,3,3-Tetrafluoropropoxy)but-3-en-2-ylhydrazine
CID 103477612
[3-Methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-yl]hydrazine
CID 103477674
1-(2,2,3,3-Tetrafluoropropoxy)pent-4-en-2-ylhydrazine
CID 103477679
1-Methoxybut-3-en-2-ylhydrazine
CID 105207123

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine (CID 103217597) is 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine is C=CC(COCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine?
The InChIKey is GRSWZCBZAZEYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-2-5(11-10)3-12-4-6(7,8)9/h2,5,11H,1,3-4,10H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine?
1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine has a molecular weight of 184.16 g/mol, XLogP of 0.58, 5 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-en-2-ylhydrazine is sourced from PubChem (CID 103217597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).