3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid

C9H14F3NO3 — CID 62271963

IUPAC3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCN(CC(F)(F)F)CC1(C(=O)O)CCOC1
InChIInChI=1S/C9H14F3NO3/c1-13(5-9(10,11)12)4-8(7(14)15)2-3-16-6-8/h2-6H2,1H3,(H,14,15)
InChIKeyQMZWBQHSFISDBP-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.97
Rot. Bonds4

About 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid

3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid (PubChem CID 62271963) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
PubChem CID62271963
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCN(CC(F)(F)F)CC1(C(=O)O)CCOC1
InChIInChI=1S/C9H14F3NO3/c1-13(5-9(10,11)12)4-8(7(14)15)2-3-16-6-8/h2-6H2,1H3,(H,14,15)
InChIKeyQMZWBQHSFISDBP-UHFFFAOYSA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid
CID 105417376
3-[[methyl(3-methylbutyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272540
3-[[benzyl(methyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272842
3-[(dimethylamino)methyl]oxane-3-carboxylic acid
CID 63740353
3-ethyloxolane-3-carboxylic acid
CID 62740785
3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
CID 83817567
3-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-3-carboxylic acid
CID 62270513
3-[[3-(dimethylamino)propyl-methylamino]methyl]oxane-3-carboxylic acid
CID 55243604
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 62390393
3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid
CID 62270868
3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolane-3-carboxylic acid
CID 62270699
3-[[bis(3-methylbutyl)amino]methyl]oxolane-3-carboxylic acid
CID 107871177

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid (CID 62271963) is 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid is CN(CC(F)(F)F)CC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The InChIKey is QMZWBQHSFISDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-13(5-9(10,11)12)4-8(7(14)15)2-3-16-6-8/h2-6H2,1H3,(H,14,15).
What are the key properties of 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid has a molecular weight of 241.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 62271963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).