3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid

C9H14F3NO2 — CID 63148391

IUPAC3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-2-8(7(14)15)3-4-13(5-8)6-9(10,11)12/h2-6H2,1H3,(H,14,15)
InChIKeyBMSGLKXLZZDHLE-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.74
Rot. Bonds3

About 3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63148391) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
PubChem CID63148391
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-2-8(7(14)15)3-4-13(5-8)6-9(10,11)12/h2-6H2,1H3,(H,14,15)
InChIKeyBMSGLKXLZZDHLE-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 55222175
3-ethyl-1-(2-ethylbutyl)pyrrolidine-3-carboxylic acid
CID 65063747
3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid
CID 65213623
3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid
CID 114494933
1-(2-cyanoethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148826
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735
3-ethyl-1-(4-methylsulfanylbutyl)pyrrolidine-3-carboxylic acid
CID 103090449
3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 65064280
3-ethyl-1-(6,6,6-trifluorohexan-2-yl)pyrrolidine-3-carboxylic acid
CID 116536210
4-ethyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 103205968
3-ethyl-1-[(2-ethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65064228
3-ethyl-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148957

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid (CID 63148391) is 3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BMSGLKXLZZDHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-8(7(14)15)3-4-13(5-8)6-9(10,11)12/h2-6H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 225.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).