2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid

C7H10F3NO2 — CID 83831293

IUPAC2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCNC1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6-4(1-2-11-6)3-5(12)13/h4,6,11H,1-3H2,(H,12,13)
InChIKeyZTPOQHVUCFYJHX-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.00
Rot. Bonds2

About 2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid

2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid (PubChem CID 83831293) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid
PubChem CID83831293
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCNC1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6-4(1-2-11-6)3-5(12)13/h4,6,11H,1-3H2,(H,12,13)
InChIKeyZTPOQHVUCFYJHX-UHFFFAOYSA-N
XLogP1.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid
CID 82397657
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
N-methoxy-N-methyl-2-[(2S,3R)-2-(trifluoromethyl)piperidin-3-yl]acetamide
CID 125455742
2-[(3S,6S)-6-(trifluoromethyl)piperidin-3-yl]acetic acid
CID 125458470
2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid
CID 155822118
methyl 2-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 105450407
(2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid
CID 124547925
2-[(2S,3R)-2-(4-methylphenyl)pyrrolidin-3-yl]acetic acid
CID 96609094
3-methyl-2-(trifluoromethyl)pyrrolidine
CID 82595109
(2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid
CID 155124572
2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid
CID 96627378
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid (CID 83831293) is 2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCNC1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is ZTPOQHVUCFYJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)6-4(1-2-11-6)3-5(12)13/h4,6,11H,1-3H2,(H,12,13).
What are the key properties of 2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid?
2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 197.16 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 83831293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).