4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid

C9H14F3NO3 — CID 66237232

IUPAC4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid
SMILESCN(CCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C9H14F3NO3/c1-13(3-2-9(10,11)12)7-5-16-4-6(7)8(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyYOPLUVJGIQDBHZ-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.97
Rot. Bonds4

About 4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid

4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid (PubChem CID 66237232) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid
PubChem CID66237232
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid
SMILESCN(CCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C9H14F3NO3/c1-13(3-2-9(10,11)12)7-5-16-4-6(7)8(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyYOPLUVJGIQDBHZ-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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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid (CID 66237232) is 4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid is CN(CCC(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid?
The InChIKey is YOPLUVJGIQDBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-13(3-2-9(10,11)12)7-5-16-4-6(7)8(14)15/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid?
4-[methyl(3,3,3-trifluoropropyl)amino]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 4-[methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).