trifluoromethyl 4-methylpiperazine-1-carboxylate

C7H11F3N2O2 — CID 71263342

IUPACtrifluoromethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O2/c1-11-2-4-12(5-3-11)6(13)14-7(8,9)10/h2-5H2,1H3
InChIKeyYKGBSTOFOQUOIP-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.89
Rot. Bonds

About trifluoromethyl 4-methylpiperazine-1-carboxylate

trifluoromethyl 4-methylpiperazine-1-carboxylate (PubChem CID 71263342) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is trifluoromethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl 4-methylpiperazine-1-carboxylate
PubChem CID71263342
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Nametrifluoromethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O2/c1-11-2-4-12(5-3-11)6(13)14-7(8,9)10/h2-5H2,1H3
InChIKeyYKGBSTOFOQUOIP-UHFFFAOYSA-N
XLogP0.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of trifluoromethyl 4-methylpiperazine-1-carboxylate (CID 71263342) is trifluoromethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for trifluoromethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for trifluoromethyl 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OC(F)(F)F)CC1.
What is the InChIKey of trifluoromethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is YKGBSTOFOQUOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-11-2-4-12(5-3-11)6(13)14-7(8,9)10/h2-5H2,1H3.
What are the key properties of trifluoromethyl 4-methylpiperazine-1-carboxylate?
trifluoromethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 212.17 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 71263342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).