1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine

C8H13F3N2O — CID 103217323

IUPAC1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine
SMILESCC#CCC(COCC(F)(F)F)NN
InChIInChI=1S/C8H13F3N2O/c1-2-3-4-7(13-12)5-14-6-8(9,10)11/h7,13H,4-6,12H2,1H3
InChIKeyUWOWBUSHBJVDNX-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.81
Rot. Bonds5

About 1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine

1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine (PubChem CID 103217323) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine
PubChem CID103217323
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine
SMILESCC#CCC(COCC(F)(F)F)NN
InChIInChI=1S/C8H13F3N2O/c1-2-3-4-7(13-12)5-14-6-8(9,10)11/h7,13H,4-6,12H2,1H3
InChIKeyUWOWBUSHBJVDNX-UHFFFAOYSA-N
XLogP0.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': '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-Methyl-2-(1,1,1-trifluoro-3-methoxypropan-2-yl)hydrazine
CID 124002349
[(2S)-1-(trifluoromethoxy)propan-2-yl]hydrazine
CID 178260184
1-(2,2,2-Trifluoroethoxy)hept-5-yn-3-ylhydrazine
CID 103151467
1-(2,2,2-Trifluoroethoxy)hex-5-yn-3-ylhydrazine
CID 103151499
[1-Methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151515
5-(2,2,2-Trifluoroethoxy)pent-1-yn-3-ylhydrazine
CID 103151586
[1-Ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151663
[1-Propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151739
1-(2,2-Difluoroethoxy)hept-5-yn-3-ylhydrazine
CID 103151786
1-(2,2-Difluoroethoxy)hex-5-yn-3-ylhydrazine
CID 103151821
5-(2,2-Difluoroethoxy)pent-1-yn-3-ylhydrazine
CID 103151910
[4-(2,2-Difluoroethoxy)-1-ethoxybutan-2-yl]hydrazine
CID 103151998

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine (CID 103217323) is 1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine is CC#CCC(COCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine?
The InChIKey is UWOWBUSHBJVDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-3-4-7(13-12)5-14-6-8(9,10)11/h7,13H,4-6,12H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine?
1-(2,2,2-trifluoroethoxy)hex-4-yn-2-ylhydrazine has a molecular weight of 210.20 g/mol, XLogP of 0.81, 5 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-4-yn-2-ylhydrazine is sourced from PubChem (CID 103217323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).