1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine

C9H14F4N2O — CID 103477557

IUPAC1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine
SMILESC#CCCC(COCC(F)(F)C(F)F)NN
InChIInChI=1S/C9H14F4N2O/c1-2-3-4-7(15-14)5-16-6-9(12,13)8(10)11/h1,7-8,15H,3-6,14H2
InChIKeyYFDKRDHSDUOAHN-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.15
Rot. Bonds8

About 1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine

1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine (PubChem CID 103477557) has the molecular formula C9H14F4N2O and a molecular weight of 242.22 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine
PubChem CID103477557
Molecular FormulaC9H14F4N2O
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine
SMILESC#CCCC(COCC(F)(F)C(F)F)NN
InChIInChI=1S/C9H14F4N2O/c1-2-3-4-7(15-14)5-16-6-9(12,13)8(10)11/h1,7-8,15H,3-6,14H2
InChIKeyYFDKRDHSDUOAHN-UHFFFAOYSA-N
XLogP1.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine (CID 103477557) is 1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine is C#CCCC(COCC(F)(F)C(F)F)NN.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine?
The InChIKey is YFDKRDHSDUOAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O/c1-2-3-4-7(15-14)5-16-6-9(12,13)8(10)11/h1,7-8,15H,3-6,14H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine?
1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine has a molecular weight of 242.22 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)hex-5-yn-2-ylhydrazine is sourced from PubChem (CID 103477557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).