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

C9H14F3NO2 — CID 104750089

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCN(CC(=O)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-13(6-9(10,11)12)4-8(14)7-2-3-15-5-7/h7H,2-6H2,1H3
InChIKeySCRBOSUOVAVKMQ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.09
Rot. Bonds4

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

2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone (PubChem CID 104750089) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone
PubChem CID104750089
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCN(CC(=O)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-13(6-9(10,11)12)4-8(14)7-2-3-15-5-7/h7H,2-6H2,1H3
InChIKeySCRBOSUOVAVKMQ-UHFFFAOYSA-N
XLogP1.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone (CID 104750089) is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone is CN(CC(=O)C1CCOC1)CC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone?
The InChIKey is SCRBOSUOVAVKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-13(6-9(10,11)12)4-8(14)7-2-3-15-5-7/h7H,2-6H2,1H3.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone?
2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone has a molecular weight of 225.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104750089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).