(2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid

C8H10F3NO4 — CID 51983207

IUPAC(2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12-3-1-2-5(12)6(13)14/h5H,1-4H2,(H,13,14)/t5-/m0/s1
InChIKeyLCFAZZGZAOLUNV-YFKPBYRVSA-N
MW241.16 g/mol
LogP1.23
Rot. Bonds2

About (2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 51983207) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is (2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID51983207
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name(2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12-3-1-2-5(12)6(13)14/h5H,1-4H2,(H,13,14)/t5-/m0/s1
InChIKeyLCFAZZGZAOLUNV-YFKPBYRVSA-N
XLogP1.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid (CID 51983207) is (2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)OCC(F)(F)F.
What is the InChIKey of (2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LCFAZZGZAOLUNV-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12-3-1-2-5(12)6(13)14/h5H,1-4H2,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.16 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 51983207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).