[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C18H15ClF3NO2 — CID 67257578

IUPAC[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1Cl
InChIInChI=1S/C18H15ClF3NO2/c19-15-5-2-1-4-14(15)16-6-3-11-23(16)17(24)12-7-9-13(10-8-12)25-18(20,21)22/h1-2,4-5,7-10,16H,3,6,11H2/t16-/m1/s1
InChIKeyFLIXRLSBTRPSCX-MRXNPFEDSA-N
MW369.77 g/mol
LogP5.22
Rot. Bonds3

About [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 67257578) has the molecular formula C18H15ClF3NO2 and a molecular weight of 369.77 g/mol. Its IUPAC name is [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID67257578
Molecular FormulaC18H15ClF3NO2
Molecular Weight369.77 g/mol
Exact Mass369.07
IUPAC Name[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1Cl
InChIInChI=1S/C18H15ClF3NO2/c19-15-5-2-1-4-14(15)16-6-3-11-23(16)17(24)12-7-9-13(10-8-12)25-18(20,21)22/h1-2,4-5,7-10,16H,3,6,11H2/t16-/m1/s1
InChIKeyFLIXRLSBTRPSCX-MRXNPFEDSA-N
XLogP5.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.77
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone 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-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 67257578) is [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1Cl.
What is the InChIKey of [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is FLIXRLSBTRPSCX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15ClF3NO2/c19-15-5-2-1-4-14(15)16-6-3-11-23(16)17(24)12-7-9-13(10-8-12)25-18(20,21)22/h1-2,4-5,7-10,16H,3,6,11H2/t16-/m1/s1.
What are the key properties of [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 369.77 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 67257578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).