[(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate

C7H10F3NO3 — CID 139346026

IUPAC[(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate
SMILESCO[C@@H]1CNC[C@H]1OC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-13-4-2-11-3-5(4)14-6(12)7(8,9)10/h4-5,11H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyNHADQFMKJWTDBL-RFZPGFLSSA-N
MW213.15 g/mol
LogP0.08
Rot. Bonds2

About [(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate

[(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate (PubChem CID 139346026) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is [(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate
PubChem CID139346026
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name[(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate
SMILESCO[C@@H]1CNC[C@H]1OC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-13-4-2-11-3-5(4)14-6(12)7(8,9)10/h4-5,11H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyNHADQFMKJWTDBL-RFZPGFLSSA-N
XLogP0.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate (CID 139346026) is [(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate is CO[C@@H]1CNC[C@H]1OC(=O)C(F)(F)F.
What is the InChIKey of [(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate?
The InChIKey is NHADQFMKJWTDBL-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-13-4-2-11-3-5(4)14-6(12)7(8,9)10/h4-5,11H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of [(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate?
[(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate has a molecular weight of 213.15 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-methoxypyrrolidin-3-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 139346026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).