(3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine

C18H19ClFN — CID 68608596

IUPAC(3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine
SMILESFc1cccc(CCN2CC[C@H](c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C18H19ClFN/c19-17-6-4-15(5-7-17)16-9-11-21(13-16)10-8-14-2-1-3-18(20)12-14/h1-7,12,16H,8-11,13H2/t16-/m0/s1
InChIKeyYCKJZSSQXLZXQT-INIZCTEOSA-N
MW303.81 g/mol
LogP4.51
Rot. Bonds4

About (3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine

(3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine (PubChem CID 68608596) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine
PubChem CID68608596
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name(3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine
SMILESFc1cccc(CCN2CC[C@H](c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C18H19ClFN/c19-17-6-4-15(5-7-17)16-9-11-21(13-16)10-8-14-2-1-3-18(20)12-14/h1-7,12,16H,8-11,13H2/t16-/m0/s1
InChIKeyYCKJZSSQXLZXQT-INIZCTEOSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine?
The IUPAC name of (3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine (CID 68608596) is (3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine is Fc1cccc(CCN2CC[C@H](c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine?
The InChIKey is YCKJZSSQXLZXQT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-17-6-4-15(5-7-17)16-9-11-21(13-16)10-8-14-2-1-3-18(20)12-14/h1-7,12,16H,8-11,13H2/t16-/m0/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine?
(3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine has a molecular weight of 303.81 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-1-[2-(3-fluorophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 68608596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).