methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate

C7H10F3NO2 — CID 129375720

IUPACmethyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CN[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c1-13-6(12)4-2-5(11-3-4)7(8,9)10/h4-5,11H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyQPUQYVAKNNBYLX-RFZPGFLSSA-N
MW197.16 g/mol
LogP0.70
Rot. Bonds1

About methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate

methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate (PubChem CID 129375720) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate
PubChem CID129375720
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Namemethyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CN[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c1-13-6(12)4-2-5(11-3-4)7(8,9)10/h4-5,11H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyQPUQYVAKNNBYLX-RFZPGFLSSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate 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 methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate (CID 129375720) is methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate is COC(=O)[C@H]1CN[C@@H](C(F)(F)F)C1.
What is the InChIKey of methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate?
The InChIKey is QPUQYVAKNNBYLX-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-13-6(12)4-2-5(11-3-4)7(8,9)10/h4-5,11H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate?
methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate has a molecular weight of 197.16 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 129375720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).