1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine

C8H14F4N2O — CID 18731750

IUPAC1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine
SMILESCOC(F)(F)C(F)(F)N1CCN(C)CC1
InChIInChI=1S/C8H14F4N2O/c1-13-3-5-14(6-4-13)7(9,10)8(11,12)15-2/h3-6H2,1-2H3
InChIKeyWSYUTGSIPOBZJL-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.07
Rot. Bonds3

About 1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine

1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine (PubChem CID 18731750) has the molecular formula C8H14F4N2O and a molecular weight of 230.20 g/mol. Its IUPAC name is 1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine
PubChem CID18731750
Molecular FormulaC8H14F4N2O
Molecular Weight230.20 g/mol
Exact Mass230.10
IUPAC Name1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine
SMILESCOC(F)(F)C(F)(F)N1CCN(C)CC1
InChIInChI=1S/C8H14F4N2O/c1-13-3-5-14(6-4-13)7(9,10)8(11,12)15-2/h3-6H2,1-2H3
InChIKeyWSYUTGSIPOBZJL-UHFFFAOYSA-N
XLogP1.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.07
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-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine?
The IUPAC name of 1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine (CID 18731750) is 1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine?
The canonical SMILES for 1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine is COC(F)(F)C(F)(F)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine?
The InChIKey is WSYUTGSIPOBZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4N2O/c1-13-3-5-14(6-4-13)7(9,10)8(11,12)15-2/h3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine?
1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine has a molecular weight of 230.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperazine is sourced from PubChem (CID 18731750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).