4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine

C6H13F3N2O — CID 103151606

IUPAC4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine
SMILESCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C6H13F3N2O/c1-5(11-10)2-3-12-4-6(7,8)9/h5,11H,2-4,10H2,1H3
InChIKeyMAIUEKFOMXOOFY-UHFFFAOYSA-N
MW186.18 g/mol
LogP0.81
Rot. Bonds5

About 4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine

4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine (PubChem CID 103151606) has the molecular formula C6H13F3N2O and a molecular weight of 186.18 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine
PubChem CID103151606
Molecular FormulaC6H13F3N2O
Molecular Weight186.18 g/mol
Exact Mass186.10
IUPAC Name4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine
SMILESCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C6H13F3N2O/c1-5(11-10)2-3-12-4-6(7,8)9/h5,11H,2-4,10H2,1H3
InChIKeyMAIUEKFOMXOOFY-UHFFFAOYSA-N
XLogP0.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 50.81
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine (CID 103151606) is 4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine is CC(CCOCC(F)(F)F)NN.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine?
The InChIKey is MAIUEKFOMXOOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O/c1-5(11-10)2-3-12-4-6(7,8)9/h5,11H,2-4,10H2,1H3.
What are the key properties of 4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine?
4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine has a molecular weight of 186.18 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)butan-2-ylhydrazine is sourced from PubChem (CID 103151606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).