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

C11H16F3NO2 — CID 104750253

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESO=C(CN(CC(F)(F)F)C1CC1)C1CCOC1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)7-15(9-1-2-9)5-10(16)8-3-4-17-6-8/h8-9H,1-7H2
InChIKeyOEPLIYWWQGRDLM-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.62
Rot. Bonds5

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

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone (PubChem CID 104750253) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone
PubChem CID104750253
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESO=C(CN(CC(F)(F)F)C1CC1)C1CCOC1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)7-15(9-1-2-9)5-10(16)8-3-4-17-6-8/h8-9H,1-7H2
InChIKeyOEPLIYWWQGRDLM-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone (CID 104750253) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone is O=C(CN(CC(F)(F)F)C1CC1)C1CCOC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone?
The InChIKey is OEPLIYWWQGRDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-11(13,14)7-15(9-1-2-9)5-10(16)8-3-4-17-6-8/h8-9H,1-7H2.
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone has a molecular weight of 251.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104750253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).