(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate

C19H19F2NO2 — CID 23200477

IUPAC(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H19F2NO2/c20-16-7-3-14(4-8-16)12-22-11-1-2-18(22)19(23)24-13-15-5-9-17(21)10-6-15/h3-10,18H,1-2,11-13H2
InChIKeyNEOQZJBROCQNCB-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.67
Rot. Bonds5

About (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate

(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate (PubChem CID 23200477) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate
PubChem CID23200477
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1CCCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H19F2NO2/c20-16-7-3-14(4-8-16)12-22-11-1-2-18(22)19(23)24-13-15-5-9-17(21)10-6-15/h3-10,18H,1-2,11-13H2
InChIKeyNEOQZJBROCQNCB-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-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 (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate (CID 23200477) is (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate is O=C(OCc1ccc(F)cc1)C1CCCN1Cc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is NEOQZJBROCQNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c20-16-7-3-14(4-8-16)12-22-11-1-2-18(22)19(23)24-13-15-5-9-17(21)10-6-15/h3-10,18H,1-2,11-13H2.
What are the key properties of (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate?
(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 331.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 23200477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).