(2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine

C13H11F8N — CID 98042591

IUPAC(2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cccc([C@@]2(C(F)(F)C(F)(F)F)CCCN2)c1
InChIInChI=1S/C13H11F8N/c14-11(15,16)9-4-1-3-8(7-9)10(5-2-6-22-10)12(17,18)13(19,20)21/h1,3-4,7,22H,2,5-6H2/t10-/m1/s1
InChIKeyDQJCNTDMUUCOGP-SNVBAGLBSA-N
MW333.22 g/mol
LogP4.48
Rot. Bonds2

About (2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine

(2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 98042591) has the molecular formula C13H11F8N and a molecular weight of 333.22 g/mol. Its IUPAC name is (2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID98042591
Molecular FormulaC13H11F8N
Molecular Weight333.22 g/mol
Exact Mass333.08
IUPAC Name(2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cccc([C@@]2(C(F)(F)C(F)(F)F)CCCN2)c1
InChIInChI=1S/C13H11F8N/c14-11(15,16)9-4-1-3-8(7-9)10(5-2-6-22-10)12(17,18)13(19,20)21/h1,3-4,7,22H,2,5-6H2/t10-/m1/s1
InChIKeyDQJCNTDMUUCOGP-SNVBAGLBSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine 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 (2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of (2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine (CID 98042591) is (2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for (2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for (2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1cccc([C@@]2(C(F)(F)C(F)(F)F)CCCN2)c1.
What is the InChIKey of (2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is DQJCNTDMUUCOGP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H11F8N/c14-11(15,16)9-4-1-3-8(7-9)10(5-2-6-22-10)12(17,18)13(19,20)21/h1,3-4,7,22H,2,5-6H2/t10-/m1/s1.
What are the key properties of (2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine?
(2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 333.22 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 98042591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).