[3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine

C7H13F3N2O — CID 103217617

IUPAC[3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine
SMILESC=C(C)C(COCC(F)(F)F)NN
InChIInChI=1S/C7H13F3N2O/c1-5(2)6(12-11)3-13-4-7(8,9)10/h6,12H,1,3-4,11H2,2H3
InChIKeyRAMGJPXZMSCWFU-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.97
Rot. Bonds5

About [3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine

[3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine (PubChem CID 103217617) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is [3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine
PubChem CID103217617
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name[3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine
SMILESC=C(C)C(COCC(F)(F)F)NN
InChIInChI=1S/C7H13F3N2O/c1-5(2)6(12-11)3-13-4-7(8,9)10/h6,12H,1,3-4,11H2,2H3
InChIKeyRAMGJPXZMSCWFU-UHFFFAOYSA-N
XLogP0.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.97
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

[2-Methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine
CID 103151550
3-Methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215729
1-(2,2,2-Trifluoroethoxy)pent-4-en-2-ylhydrazine
CID 103217312
1-(2,2,2-Trifluoroethoxy)but-3-en-2-ylhydrazine
CID 103217597
[4-Methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-yl]hydrazine
CID 103217613
[4-Methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-yl]hydrazine
CID 103217615
[4-Methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-yl]hydrazine
CID 103477610
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-Methoxy-3-methylbut-3-en-2-yl)hydrazine
CID 105207358
(3-Methyl-1-propoxybut-3-en-2-yl)hydrazine
CID 105210133
(1-Ethoxy-3-methylbut-3-en-2-yl)hydrazine
CID 105235406

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine?
The IUPAC name of [3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine (CID 103217617) is [3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine.
What is the SMILES notation for [3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine?
The canonical SMILES for [3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine is C=C(C)C(COCC(F)(F)F)NN.
What is the InChIKey of [3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine?
The InChIKey is RAMGJPXZMSCWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-5(2)6(12-11)3-13-4-7(8,9)10/h6,12H,1,3-4,11H2,2H3.
What are the key properties of [3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine?
[3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine has a molecular weight of 198.19 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-yl]hydrazine is sourced from PubChem (CID 103217617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).