[5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine

C9H17F3N2O — CID 103151640

IUPAC[5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine
SMILESCC(C)=CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C9H17F3N2O/c1-7(2)5-8(14-13)3-4-15-6-9(10,11)12/h5,8,14H,3-4,6,13H2,1-2H3
InChIKeyGVTZSUNVEUTYNI-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.75
Rot. Bonds6

About [5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine

[5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine (PubChem CID 103151640) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine
PubChem CID103151640
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine
SMILESCC(C)=CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C9H17F3N2O/c1-7(2)5-8(14-13)3-4-15-6-9(10,11)12/h5,8,14H,3-4,6,13H2,1-2H3
InChIKeyGVTZSUNVEUTYNI-UHFFFAOYSA-N
XLogP1.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.75
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148083
1-(2,2-Difluoroethoxy)-5-methylhex-4-en-3-amine
CID 103148966
[2-Methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine
CID 103151550
[5-(2,2-Difluoroethoxy)-2-methylpent-1-en-3-yl]hydrazine
CID 103151872
[1-(2,2-Difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine
CID 103151971
[4-Methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-yl]hydrazine
CID 103217615
[4-Methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-yl]hydrazine
CID 103477610
[1-(2-Methoxyethoxy)-5-methylhex-4-en-3-yl]hydrazine
CID 102929796
(1-Methoxy-5-methylhex-4-en-3-yl)hydrazine
CID 105206542
(6-Methoxy-2-methylhept-2-en-4-yl)hydrazine
CID 105267232
(7-Ethoxy-2-methylhept-2-en-4-yl)hydrazine
CID 105319812
(5-Methyl-1-propoxyhex-4-en-3-yl)hydrazine
CID 105319815

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine?
The IUPAC name of [5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine (CID 103151640) is [5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine.
What is the SMILES notation for [5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine?
The canonical SMILES for [5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine is CC(C)=CC(CCOCC(F)(F)F)NN.
What is the InChIKey of [5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine?
The InChIKey is GVTZSUNVEUTYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(2)5-8(14-13)3-4-15-6-9(10,11)12/h5,8,14H,3-4,6,13H2,1-2H3.
What are the key properties of [5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine?
[5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine has a molecular weight of 226.24 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine is sourced from PubChem (CID 103151640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).