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

C7H12F2N2O — CID 103151910

IUPAC5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine
SMILESC#CC(CCOCC(F)F)NN
InChIInChI=1S/C7H12F2N2O/c1-2-6(11-10)3-4-12-5-7(8)9/h1,6-7,11H,3-5,10H2
InChIKeyCYUJZSKXUHROOR-UHFFFAOYSA-N
MW178.18 g/mol
LogP0.12
Rot. Bonds6

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

5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine (PubChem CID 103151910) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine
PubChem CID103151910
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine
SMILESC#CC(CCOCC(F)F)NN
InChIInChI=1S/C7H12F2N2O/c1-2-6(11-10)3-4-12-5-7(8)9/h1,6-7,11H,3-5,10H2
InChIKeyCYUJZSKXUHROOR-UHFFFAOYSA-N
XLogP0.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 50.12
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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Related Compounds

1-(2,2,2-Trifluoroethoxy)hept-5-yn-3-ylhydrazine
CID 103151467
1-(2,2,2-Trifluoroethoxy)hept-6-yn-3-ylhydrazine
CID 103151496
1-(2,2,2-Trifluoroethoxy)hex-5-yn-3-ylhydrazine
CID 103151499
5-(2,2,2-Trifluoroethoxy)pent-1-yn-3-ylhydrazine
CID 103151586
4-(2,2,2-Trifluoroethoxy)butan-2-ylhydrazine
CID 103151606
1-(2,2-Difluoroethoxy)hept-5-yn-3-ylhydrazine
CID 103151786
1-(2,2-Difluoroethoxy)hept-6-yn-3-ylhydrazine
CID 103151816
1-(2,2-Difluoroethoxy)hex-5-yn-3-ylhydrazine
CID 103151821
4-(2,2-Difluoroethoxy)butan-2-ylhydrazine
CID 103151928
1-(2,2,2-Trifluoroethoxy)pent-4-yn-2-ylhydrazine
CID 103217228
1-(2,2,2-Trifluoroethoxy)hex-4-yn-2-ylhydrazine
CID 103217323
1-(2,2,2-Trifluoroethoxy)hex-5-yn-2-ylhydrazine
CID 103217498

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine?
The IUPAC name of 5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine (CID 103151910) is 5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine?
The canonical SMILES for 5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine is C#CC(CCOCC(F)F)NN.
What is the InChIKey of 5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine?
The InChIKey is CYUJZSKXUHROOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-2-6(11-10)3-4-12-5-7(8)9/h1,6-7,11H,3-5,10H2.
What are the key properties of 5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine?
5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine has a molecular weight of 178.18 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)pent-1-yn-3-ylhydrazine is sourced from PubChem (CID 103151910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).