[4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine

C8H14F6N2O — CID 103312858

IUPAC[4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESCCCOCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14F6N2O/c1-2-3-17-4-5(16-15)6(7(9,10)11)8(12,13)14/h5-6,16H,2-4,15H2,1H3
InChIKeyUXYJSLKOBULEFL-UHFFFAOYSA-N
MW268.20 g/mol
LogP1.99
Rot. Bonds6

About [4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine

[4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine (PubChem CID 103312858) has the molecular formula C8H14F6N2O and a molecular weight of 268.20 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine
PubChem CID103312858
Molecular FormulaC8H14F6N2O
Molecular Weight268.20 g/mol
Exact Mass268.10
IUPAC Name[4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESCCCOCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14F6N2O/c1-2-3-17-4-5(16-15)6(7(9,10)11)8(12,13)14/h5-6,16H,2-4,15H2,1H3
InChIKeyUXYJSLKOBULEFL-UHFFFAOYSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 51.99
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-Methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103217230
1-(2,2,2-Trifluoroethoxy)butan-2-ylhydrazine
CID 103217232
1-(2,2,2-Trifluoroethoxy)propan-2-ylhydrazine
CID 103217240
[4-Methyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
CID 103217242
1-(2,2,2-Trifluoroethoxy)hex-4-yn-2-ylhydrazine
CID 103217323
[3,3-Dimethyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103217474
[3-Ethyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
CID 103217653
[3-Methyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
CID 103217673
[1-Ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
CID 103312857
[4,4,4-Trifluoro-1-methoxy-3-(trifluoromethyl)butan-2-yl]hydrazine
CID 103312859
[4,4,4-Trifluoro-1-propan-2-yloxy-3-(trifluoromethyl)butan-2-yl]hydrazine
CID 103312867
1-(2,2,3,3-Tetrafluoropropoxy)propan-2-ylhydrazine
CID 103477565

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine (CID 103312858) is [4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine is CCCOCC(NN)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine?
The InChIKey is UXYJSLKOBULEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F6N2O/c1-2-3-17-4-5(16-15)6(7(9,10)11)8(12,13)14/h5-6,16H,2-4,15H2,1H3.
What are the key properties of [4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine?
[4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine has a molecular weight of 268.20 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-propoxy-3-(trifluoromethyl)butan-2-yl]hydrazine is sourced from PubChem (CID 103312858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).