1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine

C9H16F2N2O — CID 103151816

IUPAC1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine
SMILESC#CCCC(CCOCC(F)F)NN
InChIInChI=1S/C9H16F2N2O/c1-2-3-4-8(13-12)5-6-14-7-9(10)11/h1,8-9,13H,3-7,12H2
InChIKeyIIWGOMIQDQPGKA-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.90
Rot. Bonds8

About 1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine

1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine (PubChem CID 103151816) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine
PubChem CID103151816
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine
SMILESC#CCCC(CCOCC(F)F)NN
InChIInChI=1S/C9H16F2N2O/c1-2-3-4-8(13-12)5-6-14-7-9(10)11/h1,8-9,13H,3-7,12H2
InChIKeyIIWGOMIQDQPGKA-UHFFFAOYSA-N
XLogP0.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.90
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 1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine?
The IUPAC name of 1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine (CID 103151816) is 1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine?
The canonical SMILES for 1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine is C#CCCC(CCOCC(F)F)NN.
What is the InChIKey of 1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine?
The InChIKey is IIWGOMIQDQPGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-2-3-4-8(13-12)5-6-14-7-9(10)11/h1,8-9,13H,3-7,12H2.
What are the key properties of 1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine?
1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine has a molecular weight of 206.24 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)hept-6-yn-3-ylhydrazine is sourced from PubChem (CID 103151816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).