1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone

C11H18F3NO2 — CID 104750258

IUPAC1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC(C)N(CC(=O)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-8(2)15(7-11(12,13)14)5-10(16)9-3-4-17-6-9/h8-9H,3-7H2,1-2H3
InChIKeyKZKRNWYUAPWTDA-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.86
Rot. Bonds5

About 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone

1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 104750258) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID104750258
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC(C)N(CC(=O)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-8(2)15(7-11(12,13)14)5-10(16)9-3-4-17-6-9/h8-9H,3-7H2,1-2H3
InChIKeyKZKRNWYUAPWTDA-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone (CID 104750258) is 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone is CC(C)N(CC(=O)C1CCOC1)CC(F)(F)F.
What is the InChIKey of 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is KZKRNWYUAPWTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-8(2)15(7-11(12,13)14)5-10(16)9-3-4-17-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 253.26 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 104750258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).