2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine

C8H12F3N3 — CID 69173899

IUPAC2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine
SMILESC=C1CNCCN1/C(=N/C)C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6-5-13-3-4-14(6)7(12-2)8(9,10)11/h13H,1,3-5H2,2H3/b12-7+
InChIKeyDZYJAFYSEAPNPY-KPKJPENVSA-N
MW207.20 g/mol
LogP1.00
Rot. Bonds

About 2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine

2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine (PubChem CID 69173899) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine
PubChem CID69173899
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine
SMILESC=C1CNCCN1/C(=N/C)C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6-5-13-3-4-14(6)7(12-2)8(9,10)11/h13H,1,3-5H2,2H3/b12-7+
InChIKeyDZYJAFYSEAPNPY-KPKJPENVSA-N
XLogP1.00
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine (CID 69173899) is 2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine is C=C1CNCCN1/C(=N/C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine?
The InChIKey is DZYJAFYSEAPNPY-KPKJPENVSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-6-5-13-3-4-14(6)7(12-2)8(9,10)11/h13H,1,3-5H2,2H3/b12-7+.
What are the key properties of 2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine?
2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine has a molecular weight of 207.20 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine is sourced from PubChem (CID 69173899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).