1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine

C9H16F4N2O — CID 59921966

IUPAC1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine
SMILESCCOC(F)(F)C(F)(F)N1CCN(C)CC1
InChIInChI=1S/C9H16F4N2O/c1-3-16-9(12,13)8(10,11)15-6-4-14(2)5-7-15/h3-7H2,1-2H3
InChIKeyGQGRINPDDGNGJO-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.46
Rot. Bonds4

About 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine

1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine (PubChem CID 59921966) has the molecular formula C9H16F4N2O and a molecular weight of 244.23 g/mol. Its IUPAC name is 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine
PubChem CID59921966
Molecular FormulaC9H16F4N2O
Molecular Weight244.23 g/mol
Exact Mass244.12
IUPAC Name1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine
SMILESCCOC(F)(F)C(F)(F)N1CCN(C)CC1
InChIInChI=1S/C9H16F4N2O/c1-3-16-9(12,13)8(10,11)15-6-4-14(2)5-7-15/h3-7H2,1-2H3
InChIKeyGQGRINPDDGNGJO-UHFFFAOYSA-N
XLogP1.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine?
The IUPAC name of 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine (CID 59921966) is 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine is CCOC(F)(F)C(F)(F)N1CCN(C)CC1.
What is the InChIKey of 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine?
The InChIKey is GQGRINPDDGNGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4N2O/c1-3-16-9(12,13)8(10,11)15-6-4-14(2)5-7-15/h3-7H2,1-2H3.
What are the key properties of 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine?
1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine has a molecular weight of 244.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-4-methylpiperazine is sourced from PubChem (CID 59921966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).