2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

C9H13F4NO4 — CID 154577303

IUPAC2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1(CCF)CCCN1
InChIInChI=1S/C7H12FNO2.C2HF3O2/c8-4-3-7(6(10)11)2-1-5-9-7;3-2(4,5)1(6)7/h9H,1-5H2,(H,10,11);(H,6,7)
InChIKeyYRLJJSJRVKVLNT-UHFFFAOYSA-N
MW275.20 g/mol
LogP1.19
Rot. Bonds3

About 2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 154577303) has the molecular formula C9H13F4NO4 and a molecular weight of 275.20 g/mol. Its IUPAC name is 2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID154577303
Molecular FormulaC9H13F4NO4
Molecular Weight275.20 g/mol
Exact Mass275.08
IUPAC Name2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1(CCF)CCCN1
InChIInChI=1S/C7H12FNO2.C2HF3O2/c8-4-3-7(6(10)11)2-1-5-9-7;3-2(4,5)1(6)7/h9H,1-5H2,(H,10,11);(H,6,7)
InChIKeyYRLJJSJRVKVLNT-UHFFFAOYSA-N
XLogP1.19
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 76156400
(2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 15953693
(2S,4S)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid hydrochloride
CID 71755997
4,4-Difluoro-2-methylpyrrolidine-2-carboxylic acid hydrochloride
CID 137919896
(2S,4S)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 47003464
(2S)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 53829083
(R)-2-(Trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 71422311
(2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 124514332
rac-(2R,3R)-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid hydrochloride
CID 121553315
(2S,3S)-3-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-1-ium-2-carboxylic acid;chloride;hydrate
CID 139188970
(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
CID 154707113
(2S)-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 162534479

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 154577303) is 2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)C1(CCF)CCCN1.
What is the InChIKey of 2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is YRLJJSJRVKVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2.C2HF3O2/c8-4-3-7(6(10)11)2-1-5-9-7;3-2(4,5)1(6)7/h9H,1-5H2,(H,10,11);(H,6,7).
What are the key properties of 2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 275.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154577303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).