[1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C7H15F3N2O2 — CID 103151515

IUPAC[1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCOCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C7H15F3N2O2/c1-13-4-6(12-11)2-3-14-5-7(8,9)10/h6,12H,2-5,11H2,1H3
InChIKeyRSJMFRCJUIVHHC-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.43
Rot. Bonds7

About [1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151515) has the molecular formula C7H15F3N2O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is [1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151515
Molecular FormulaC7H15F3N2O2
Molecular Weight216.20 g/mol
Exact Mass216.11
IUPAC Name[1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCOCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C7H15F3N2O2/c1-13-4-6(12-11)2-3-14-5-7(8,9)10/h6,12H,2-5,11H2,1H3
InChIKeyRSJMFRCJUIVHHC-UHFFFAOYSA-N
XLogP0.43
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103151515) is [1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is COCC(CCOCC(F)(F)F)NN.
What is the InChIKey of [1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is RSJMFRCJUIVHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O2/c1-13-4-6(12-11)2-3-14-5-7(8,9)10/h6,12H,2-5,11H2,1H3.
What are the key properties of [1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 216.20 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).