[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine

C9H19F3N2O — CID 103151461

IUPAC[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine
SMILESCC(C)(C)C(CCOCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O/c1-8(2,3)7(14-13)4-5-15-6-9(10,11)12/h7,14H,4-6,13H2,1-3H3
InChIKeyIDHZAIUZOBZSOF-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.83
Rot. Bonds5

About [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine

[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine (PubChem CID 103151461) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine
PubChem CID103151461
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine
SMILESCC(C)(C)C(CCOCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O/c1-8(2,3)7(14-13)4-5-15-6-9(10,11)12/h7,14H,4-6,13H2,1-3H3
InChIKeyIDHZAIUZOBZSOF-UHFFFAOYSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.83
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'}

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Related Compounds

[(3,3-Dimethyloxan-4-yl)amino]azanium;2,2,2-trifluoroacetate
CID 155074480
1-(2,2-Difluoroethoxy)-4,4-dimethylpentan-3-amine
CID 103148969
[4-Methyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine
CID 103151458
[5-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151460
1-(2,2,2-Trifluoroethoxy)pentan-3-ylhydrazine
CID 103151464
[4-Ethyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151592
[6,6-Dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151593
[4-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151654
[1-(2,2-Difluoroethoxy)-4-methylpentan-3-yl]hydrazine
CID 103151777
[1-(2,2-Difluoroethoxy)-5-methylhexan-3-yl]hydrazine
CID 103151779
[1-(2,2-Difluoroethoxy)-4,4-dimethylpentan-3-yl]hydrazine
CID 103151780
1-(2,2-Difluoroethoxy)pentan-3-ylhydrazine
CID 103151783

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine?
The IUPAC name of [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine (CID 103151461) is [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine.
What is the SMILES notation for [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine?
The canonical SMILES for [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine is CC(C)(C)C(CCOCC(F)(F)F)NN.
What is the InChIKey of [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine?
The InChIKey is IDHZAIUZOBZSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-8(2,3)7(14-13)4-5-15-6-9(10,11)12/h7,14H,4-6,13H2,1-3H3.
What are the key properties of [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine?
[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine has a molecular weight of 228.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine is sourced from PubChem (CID 103151461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).