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

C7H12F6N2O — CID 103312857

IUPAC[1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESCCOCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H12F6N2O/c1-2-16-3-4(15-14)5(6(8,9)10)7(11,12)13/h4-5,15H,2-3,14H2,1H3
InChIKeyAXGDICDTYLPYRE-UHFFFAOYSA-N
MW254.17 g/mol
LogP1.60
Rot. Bonds5

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

[1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine (PubChem CID 103312857) has the molecular formula C7H12F6N2O and a molecular weight of 254.17 g/mol. Its IUPAC name is [1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
PubChem CID103312857
Molecular FormulaC7H12F6N2O
Molecular Weight254.17 g/mol
Exact Mass254.09
IUPAC Name[1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESCCOCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H12F6N2O/c1-2-16-3-4(15-14)5(6(8,9)10)7(11,12)13/h4-5,15H,2-3,14H2,1H3
InChIKeyAXGDICDTYLPYRE-UHFFFAOYSA-N
XLogP1.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 51.60
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'}

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Related Compounds

1-Methyl-2-(1,1,1-trifluoro-3-methoxypropan-2-yl)hydrazine
CID 124002349
2-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxyethylhydrazine
CID 143486825
[(2S)-1-(trifluoromethoxy)propan-2-yl]hydrazine
CID 178260184
[1-Methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151515
[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)pentan-2-ylhydrazine
CID 103217236
1-(2,2,2-Trifluoroethoxy)propan-2-ylhydrazine
CID 103217240
[4-Methyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
CID 103217242
[3,3-Dimethyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103217474
[5,5,5-Trifluoro-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
CID 103217555
[1-Cyclopropyl-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217562

Frequently Asked Questions

What is the IUPAC name of [1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
The IUPAC name of [1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine (CID 103312857) is [1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
The canonical SMILES for [1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine is CCOCC(NN)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
The InChIKey is AXGDICDTYLPYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F6N2O/c1-2-16-3-4(15-14)5(6(8,9)10)7(11,12)13/h4-5,15H,2-3,14H2,1H3.
What are the key properties of [1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
[1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine has a molecular weight of 254.17 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethoxy-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine is sourced from PubChem (CID 103312857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).