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

C10H16F3NO2 — CID 104750882

IUPAC2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCN(CCC(F)(F)F)CC(=O)C1CCOC1
InChIInChI=1S/C10H16F3NO2/c1-14(4-3-10(11,12)13)6-9(15)8-2-5-16-7-8/h8H,2-7H2,1H3
InChIKeyFSJMLJMTNJPPEY-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.48
Rot. Bonds5

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

2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone (PubChem CID 104750882) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone
PubChem CID104750882
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCN(CCC(F)(F)F)CC(=O)C1CCOC1
InChIInChI=1S/C10H16F3NO2/c1-14(4-3-10(11,12)13)6-9(15)8-2-5-16-7-8/h8H,2-7H2,1H3
InChIKeyFSJMLJMTNJPPEY-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone (CID 104750882) is 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone is CN(CCC(F)(F)F)CC(=O)C1CCOC1.
What is the InChIKey of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone?
The InChIKey is FSJMLJMTNJPPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14(4-3-10(11,12)13)6-9(15)8-2-5-16-7-8/h8H,2-7H2,1H3.
What are the key properties of 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone?
2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone has a molecular weight of 239.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104750882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).