2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid

C8H12F3NO3 — CID 139512458

IUPAC2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)5-12-2-1-6(3-12)15-4-7(13)14/h6H,1-5H2,(H,13,14)
InChIKeyLJBZVYOTNJPSIE-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.72
Rot. Bonds4

About 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid

2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid (PubChem CID 139512458) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid
PubChem CID139512458
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)5-12-2-1-6(3-12)15-4-7(13)14/h6H,1-5H2,(H,13,14)
InChIKeyLJBZVYOTNJPSIE-UHFFFAOYSA-N
XLogP0.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
CID 63904700
2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid
CID 114494954
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 112590618
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine
CID 117046296
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
CID 152664837
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
CID 63904708
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63903774
2-[1-(4,4-dimethylpent-2-ynyl)piperidin-4-yl]oxyacetic acid
CID 114190049
2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid
CID 103513307

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid (CID 139512458) is 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid is O=C(O)COC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid?
The InChIKey is LJBZVYOTNJPSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)5-12-2-1-6(3-12)15-4-7(13)14/h6H,1-5H2,(H,13,14).
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid?
2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid has a molecular weight of 227.18 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyacetic acid is sourced from PubChem (CID 139512458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).