2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one

C10H17F3N2O2 — CID 112685703

IUPAC2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
SMILESCOC(C)C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-8(17-2)9(16)15-5-3-14(4-6-15)7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyVNKXFPJBJCIDAY-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.73
Rot. Bonds3

About 2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one

2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one (PubChem CID 112685703) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
PubChem CID112685703
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
SMILESCOC(C)C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-8(17-2)9(16)15-5-3-14(4-6-15)7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyVNKXFPJBJCIDAY-UHFFFAOYSA-N
XLogP0.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one (CID 112685703) is 2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one is COC(C)C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one?
The InChIKey is VNKXFPJBJCIDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-8(17-2)9(16)15-5-3-14(4-6-15)7-10(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one?
2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 112685703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).