1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine

C10H17F3N2O — CID 103151575

IUPAC1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine
SMILESCC#CCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C10H17F3N2O/c1-2-3-4-5-9(15-14)6-7-16-8-10(11,12)13/h9,15H,4-8,14H2,1H3
InChIKeyVIIFURZBFRSCCZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.59
Rot. Bonds7

About 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine

1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine (PubChem CID 103151575) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine
PubChem CID103151575
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine
SMILESCC#CCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C10H17F3N2O/c1-2-3-4-5-9(15-14)6-7-16-8-10(11,12)13/h9,15H,4-8,14H2,1H3
InChIKeyVIIFURZBFRSCCZ-UHFFFAOYSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.59
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

[6,6,6-Trifluoro-1-(2-methoxyethoxy)hexan-3-yl]hydrazine
CID 102929807
1-(2,2,2-Trifluoroethoxy)oct-6-yn-3-amine
CID 103147985
1-(2,2-Difluoroethoxy)oct-6-yn-3-amine
CID 103148840
1-(2,2,2-Trifluoroethoxy)heptan-3-ylhydrazine
CID 103151459
[5-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151460
1-(2,2,2-Trifluoroethoxy)undecan-3-ylhydrazine
CID 103151462
1-(2,2,2-Trifluoroethoxy)octan-3-ylhydrazine
CID 103151463
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
[7,7,7-Trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151566
1-(2,2,2-Trifluoroethoxy)decan-3-ylhydrazine
CID 103151589

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine (CID 103151575) is 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine is CC#CCCC(CCOCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine?
The InChIKey is VIIFURZBFRSCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-3-4-5-9(15-14)6-7-16-8-10(11,12)13/h9,15H,4-8,14H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine?
1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine has a molecular weight of 238.25 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-ylhydrazine is sourced from PubChem (CID 103151575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).