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

C8H13F3N2O — CID 103151499

IUPAC1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine
SMILESC#CCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C8H13F3N2O/c1-2-3-7(13-12)4-5-14-6-8(9,10)11/h1,7,13H,3-6,12H2
InChIKeyVTQWDNMMEWDVML-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.81
Rot. Bonds6

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

1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine (PubChem CID 103151499) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine
PubChem CID103151499
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine
SMILESC#CCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C8H13F3N2O/c1-2-3-7(13-12)4-5-14-6-8(9,10)11/h1,7,13H,3-6,12H2
InChIKeyVTQWDNMMEWDVML-UHFFFAOYSA-N
XLogP0.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.81
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)pentan-3-ylhydrazine
CID 103151464
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)oct-6-yn-3-ylhydrazine
CID 103151575
5-(2,2,2-Trifluoroethoxy)pent-1-yn-3-ylhydrazine
CID 103151586
1-(2,2,2-Trifluoroethoxy)oct-7-yn-3-ylhydrazine
CID 103151650
1-(2,2-Difluoroethoxy)pentan-3-ylhydrazine
CID 103151783
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
1-(2,2-Difluoroethoxy)oct-6-yn-3-ylhydrazine
CID 103151897
5-(2,2-Difluoroethoxy)pent-1-yn-3-ylhydrazine
CID 103151910

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine (CID 103151499) is 1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine is C#CCC(CCOCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine?
The InChIKey is VTQWDNMMEWDVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-3-7(13-12)4-5-14-6-8(9,10)11/h1,7,13H,3-6,12H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine?
1-(2,2,2-trifluoroethoxy)hex-5-yn-3-ylhydrazine has a molecular weight of 210.20 g/mol, XLogP of 0.81, 6 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)hex-5-yn-3-ylhydrazine is sourced from PubChem (CID 103151499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).