2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid

C8H10F3NO3 — CID 61372651

IUPAC2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-3-1-2-5(12)4-6(13)14/h5H,1-4H2,(H,13,14)
InChIKeySTJPTIXUGWBTQN-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.01
Rot. Bonds2

About 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid

2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61372651) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid
PubChem CID61372651
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-3-1-2-5(12)4-6(13)14/h5H,1-4H2,(H,13,14)
InChIKeySTJPTIXUGWBTQN-UHFFFAOYSA-N
XLogP1.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 162620815
2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 83200263
2,2,2-trifluoro-1-(3-fluoro-2-methylpiperidin-1-yl)ethanone
CID 134827886
[(2R)-1-(2,2,2-trifluoroacetyl)piperidin-2-yl]methylperoxythallium
CID 142455278
2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid
CID 103929702
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184
2-[(3S)-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]acetic acid
CID 94539611
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371746
2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 114111582

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid (CID 61372651) is 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is STJPTIXUGWBTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-3-1-2-5(12)4-6(13)14/h5H,1-4H2,(H,13,14).
What are the key properties of 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 225.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61372651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).