[4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine

C9H17F3N2O — CID 103217619

IUPAC[4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine
SMILESC=C(CC)CC(COCC(F)(F)F)NN
InChIInChI=1S/C9H17F3N2O/c1-3-7(2)4-8(14-13)5-15-6-9(10,11)12/h8,14H,2-6,13H2,1H3
InChIKeyJQFSLBYRULFUHQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.75
Rot. Bonds7

About [4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine

[4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine (PubChem CID 103217619) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine
PubChem CID103217619
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine
SMILESC=C(CC)CC(COCC(F)(F)F)NN
InChIInChI=1S/C9H17F3N2O/c1-3-7(2)4-8(14-13)5-15-6-9(10,11)12/h8,14H,2-6,13H2,1H3
InChIKeyJQFSLBYRULFUHQ-UHFFFAOYSA-N
XLogP1.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': '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

[6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-yl]hydrazine
CID 103151449
[5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151481
[2-Methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine
CID 103151550
1-(2,2,2-Trifluoroethoxy)hept-6-en-3-ylhydrazine
CID 103151688
[5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-yl]hydrazine
CID 103151729
[1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-yl]hydrazine
CID 103151769
[1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-yl]hydrazine
CID 103151798
[5-(2,2-Difluoroethoxy)-2-methylpent-1-en-3-yl]hydrazine
CID 103151872
1-(2,2-Difluoroethoxy)hept-6-en-3-ylhydrazine
CID 103152025
[1-(2,2-Difluoroethoxy)-5-methylhex-5-en-3-yl]hydrazine
CID 103152071
4-Methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103215737
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103216261

Frequently Asked Questions

What is the IUPAC name of [4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine?
The IUPAC name of [4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine (CID 103217619) is [4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine.
What is the SMILES notation for [4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine?
The canonical SMILES for [4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine is C=C(CC)CC(COCC(F)(F)F)NN.
What is the InChIKey of [4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine?
The InChIKey is JQFSLBYRULFUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-3-7(2)4-8(14-13)5-15-6-9(10,11)12/h8,14H,2-6,13H2,1H3.
What are the key properties of [4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine?
[4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine has a molecular weight of 226.24 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine is sourced from PubChem (CID 103217619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).