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

C7H11F3N2O — CID 103151586

IUPAC5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine
SMILESC#CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C7H11F3N2O/c1-2-6(12-11)3-4-13-5-7(8,9)10/h1,6,12H,3-5,11H2
InChIKeyAPTNHNAUCKXPCB-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.42
Rot. Bonds5

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

5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine (PubChem CID 103151586) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine
PubChem CID103151586
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine
SMILESC#CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C7H11F3N2O/c1-2-6(12-11)3-4-13-5-7(8,9)10/h1,6,12H,3-5,11H2
InChIKeyAPTNHNAUCKXPCB-UHFFFAOYSA-N
XLogP0.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.42
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine (CID 103151586) is 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine is C#CC(CCOCC(F)(F)F)NN.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine?
The InChIKey is APTNHNAUCKXPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-2-6(12-11)3-4-13-5-7(8,9)10/h1,6,12H,3-5,11H2.
What are the key properties of 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine?
5-(2,2,2-trifluoroethoxy)pent-1-yn-3-ylhydrazine has a molecular weight of 196.17 g/mol, XLogP of 0.42, 5 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-yn-3-ylhydrazine is sourced from PubChem (CID 103151586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).