1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine

C7H13F3N2O — CID 103217312

IUPAC1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine
SMILESC=CCC(COCC(F)(F)F)NN
InChIInChI=1S/C7H13F3N2O/c1-2-3-6(12-11)4-13-5-7(8,9)10/h2,6,12H,1,3-5,11H2
InChIKeyRBCXRTRVJMNLCG-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.97
Rot. Bonds6

About 1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine

1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine (PubChem CID 103217312) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine
PubChem CID103217312
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine
SMILESC=CCC(COCC(F)(F)F)NN
InChIInChI=1S/C7H13F3N2O/c1-2-3-6(12-11)4-13-5-7(8,9)10/h2,6,12H,1,3-5,11H2
InChIKeyRBCXRTRVJMNLCG-UHFFFAOYSA-N
XLogP0.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

1-(2,2,2-Trifluoroethoxy)hex-5-en-3-ylhydrazine
CID 103151475
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-ylhydrazine
CID 103151489
1-(2,2-Difluoroethoxy)hex-5-en-3-ylhydrazine
CID 103151793
5-(2,2-Difluoroethoxy)pent-1-en-3-ylhydrazine
CID 103151808
1-(2,2,2-Trifluoroethoxy)pent-4-en-2-amine
CID 103214751
1-(2,2,2-Trifluoroethoxy)hept-6-en-2-ylhydrazine
CID 103217531
1-(2,2,2-Trifluoroethoxy)hex-5-en-2-ylhydrazine
CID 103217533
1-(2,2,2-Trifluoroethoxy)but-3-en-2-ylhydrazine
CID 103217597
[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
1-(2,2,3,3-Tetrafluoropropoxy)pent-4-en-2-ylhydrazine
CID 103477679
1-(2,2,3,3-Tetrafluoropropoxy)hex-5-en-2-ylhydrazine
CID 103477744

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine (CID 103217312) is 1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine is C=CCC(COCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine?
The InChIKey is RBCXRTRVJMNLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-2-3-6(12-11)4-13-5-7(8,9)10/h2,6,12H,1,3-5,11H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine?
1-(2,2,2-trifluoroethoxy)pent-4-en-2-ylhydrazine has a molecular weight of 198.19 g/mol, XLogP of 0.97, 6 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)pent-4-en-2-ylhydrazine is sourced from PubChem (CID 103217312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).