5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine

C7H13F3N2O — CID 103151489

IUPAC5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine
SMILESC=CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C7H13F3N2O/c1-2-6(12-11)3-4-13-5-7(8,9)10/h2,6,12H,1,3-5,11H2
InChIKeyYNKUFWLFQNHCRH-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.97
Rot. Bonds6

About 5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine

5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine (PubChem CID 103151489) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine
PubChem CID103151489
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine
SMILESC=CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C7H13F3N2O/c1-2-6(12-11)3-4-13-5-7(8,9)10/h2,6,12H,1,3-5,11H2
InChIKeyYNKUFWLFQNHCRH-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,2,2-Trifluoroethoxy)pent-1-en-3-amine
CID 103148009
5-(2,2-Difluoroethoxy)pent-1-en-3-amine
CID 103148870
1-(2,2,2-Trifluoroethoxy)hex-5-en-3-ylhydrazine
CID 103151475
[2-Methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine
CID 103151550
1-(2,2,2-Trifluoroethoxy)hept-6-en-3-ylhydrazine
CID 103151688
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-Difluoroethoxy)hept-6-en-3-ylhydrazine
CID 103152025
1-(2,2,2-Trifluoroethoxy)pent-4-en-2-ylhydrazine
CID 103217312
1-(2,2,2-Trifluoroethoxy)hex-5-en-2-ylhydrazine
CID 103217533
1-(2,2,2-Trifluoroethoxy)but-3-en-2-ylhydrazine
CID 103217597
1-(2,2,3,3-Tetrafluoropropoxy)but-3-en-2-ylhydrazine
CID 103477612

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine (CID 103151489) is 5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine is C=CC(CCOCC(F)(F)F)NN.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine?
The InChIKey is YNKUFWLFQNHCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-2-6(12-11)3-4-13-5-7(8,9)10/h2,6,12H,1,3-5,11H2.
What are the key properties of 5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine?
5-(2,2,2-trifluoroethoxy)pent-1-en-3-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 5-(2,2,2-trifluoroethoxy)pent-1-en-3-ylhydrazine is sourced from PubChem (CID 103151489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).