2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid

C7H10F3NO2 — CID 121215375

IUPAC2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-1-2-11(3-5)4-6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyAMYPDTHCNZNOPW-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.96
Rot. Bonds2

About 2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid

2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid (PubChem CID 121215375) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
PubChem CID121215375
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-1-2-11(3-5)4-6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyAMYPDTHCNZNOPW-UHFFFAOYSA-N
XLogP0.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68960717
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
CID 96745643
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
2-(3-tert-butylazetidin-1-yl)acetic acid
CID 79687035
2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride
CID 146019187
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine
CID 130507385
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 100836620
N-(propan-2-ylcarbamoyl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098406
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid (CID 121215375) is 2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid is O=C(O)CN1CCC(C(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is AMYPDTHCNZNOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5-1-2-11(3-5)4-6(12)13/h5H,1-4H2,(H,12,13).
What are the key properties of 2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid?
2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 197.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 121215375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).