4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C14H22F3NO2 — CID 79933677

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN(CC(F)(F)F)C2CC2)C1=O
InChIInChI=1S/C14H22F3NO2/c1-12(2)10(11(19)13(3,4)20-12)7-18(9-5-6-9)8-14(15,16)17/h9-10H,5-8H2,1-4H3
InChIKeyZTVWUEMDHPIOAU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.79
Rot. Bonds4

About 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79933677) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79933677
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN(CC(F)(F)F)C2CC2)C1=O
InChIInChI=1S/C14H22F3NO2/c1-12(2)10(11(19)13(3,4)20-12)7-18(9-5-6-9)8-14(15,16)17/h9-10H,5-8H2,1-4H3
InChIKeyZTVWUEMDHPIOAU-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79933677) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)C(CN(CC(F)(F)F)C2CC2)C1=O.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is ZTVWUEMDHPIOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c1-12(2)10(11(19)13(3,4)20-12)7-18(9-5-6-9)8-14(15,16)17/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 293.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79933677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).