2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid

C11H18F3NO3 — CID 106978811

IUPAC2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CCOC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-2-4-10(9(16)17)5-3-6-15(10)7-8-18-11(12,13)14/h2-8H2,1H3,(H,16,17)
InChIKeyTZTYXWMEQDUHHN-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.24
Rot. Bonds6

About 2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid

2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 106978811) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID106978811
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CCOC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-2-4-10(9(16)17)5-3-6-15(10)7-8-18-11(12,13)14/h2-8H2,1H3,(H,16,17)
InChIKeyTZTYXWMEQDUHHN-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptafluorobutyryl isobutyl proline
CID 129662181
methyl (4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 134861852
methyl (2S,3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 134862802
Methyl 1-tert-butyl-3,3,4-trifluoro-4-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 23234954
Methyl 1-tert-butyl-3,4-difluoro-3,4-bis(trifluoromethyl)pyrrolidine-2-carboxylate
CID 23234958
4-(3,3-Difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid
CID 21076020
1-(4,4-Difluoro-2-hydroxy-3-methylhexyl)pyrrolidine-2-carboxylic acid
CID 69626667
(2R)-3,3-difluoro-1,2-dimethylpyrrolidine-2-carboxylic acid
CID 69719567
3,4-Difluoro-1,2-dimethylpyrrolidine-2-carboxylic acid
CID 69719568
1-Methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 84739700
methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate
CID 118019715
Ethyl 1-methylidene-2-(2,2,2-trifluoroethyl)pyrrolidin-1-ium-2-carboxylate
CID 123631808

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid (CID 106978811) is 2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1CCOC(F)(F)F.
What is the InChIKey of 2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is TZTYXWMEQDUHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-2-4-10(9(16)17)5-3-6-15(10)7-8-18-11(12,13)14/h2-8H2,1H3,(H,16,17).
What are the key properties of 2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid?
2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).