(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid

C7H10F3NO3 — CID 66803153

IUPAC(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](OCC(F)(F)F)C1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)4-14-5-1-2-11(3-5)6(12)13/h5H,1-4H2,(H,12,13)/t5-/m1/s1
InChIKeyRWWSGGPCOUYGKN-RXMQYKEDSA-N
MW213.15 g/mol
LogP1.32
Rot. Bonds2

About (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid

(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid (PubChem CID 66803153) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid
PubChem CID66803153
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](OCC(F)(F)F)C1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)4-14-5-1-2-11(3-5)6(12)13/h5H,1-4H2,(H,12,13)/t5-/m1/s1
InChIKeyRWWSGGPCOUYGKN-RXMQYKEDSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Hydroxyethyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 21801026
3-Fluoro-4-methoxypyrrolidine-1-carboxylic acid
CID 22603705
3-Fluoro-4-hydroxypyrrolidine-1-carboxylic acid
CID 66781567
tert-butyl (3S)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylate
CID 66803241
5-(2,2-Difluoroethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67255810
5-(2,2-Difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one
CID 67256965
5-(Difluoromethyl)-3-ethyl-1,3-oxazolidin-2-one
CID 67257643
5-(2-Fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67261780
(3S)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid
CID 68276845
(4R)-3-fluoro-4-methoxypyrrolidine-1-carboxylic acid
CID 69884549
tert-Butyl (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylate
CID 86710530
(3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid
CID 87453020

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid (CID 66803153) is (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@@H](OCC(F)(F)F)C1.
What is the InChIKey of (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid?
The InChIKey is RWWSGGPCOUYGKN-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10F3NO3/c8-7(9,10)4-14-5-1-2-11(3-5)6(12)13/h5H,1-4H2,(H,12,13)/t5-/m1/s1.
What are the key properties of (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid?
(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid has a molecular weight of 213.15 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66803153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).