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

C11H18F3NO3 — CID 62270137

IUPAC3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCCCN(CC(F)(F)F)CC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18F3NO3/c1-2-4-15(7-11(12,13)14)6-10(9(16)17)3-5-18-8-10/h2-8H2,1H3,(H,16,17)
InChIKeyAWAAGPIJGIWOLC-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.75
Rot. Bonds6

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

3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid (PubChem CID 62270137) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
PubChem CID62270137
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCCCN(CC(F)(F)F)CC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18F3NO3/c1-2-4-15(7-11(12,13)14)6-10(9(16)17)3-5-18-8-10/h2-8H2,1H3,(H,16,17)
InChIKeyAWAAGPIJGIWOLC-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid (CID 62270137) is 3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid is CCCN(CC(F)(F)F)CC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The InChIKey is AWAAGPIJGIWOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-2-4-15(7-11(12,13)14)6-10(9(16)17)3-5-18-8-10/h2-8H2,1H3,(H,16,17).
What are the key properties of 3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 62270137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).