3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine

C23H20FN — CID 171358770

IUPAC3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine
SMILESFc1ccc(N2CCC(C3c4ccccc4-c4ccccc43)C2)cc1
InChIInChI=1S/C23H20FN/c24-17-9-11-18(12-10-17)25-14-13-16(15-25)23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,16,23H,13-15H2
InChIKeyUREQBIQKAMGBAZ-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.46
Rot. Bonds2

About 3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine

3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine (PubChem CID 171358770) has the molecular formula C23H20FN and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine
PubChem CID171358770
Molecular FormulaC23H20FN
Molecular Weight329.42 g/mol
Exact Mass329.16
IUPAC Name3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine
SMILESFc1ccc(N2CCC(C3c4ccccc4-c4ccccc43)C2)cc1
InChIInChI=1S/C23H20FN/c24-17-9-11-18(12-10-17)25-14-13-16(15-25)23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,16,23H,13-15H2
InChIKeyUREQBIQKAMGBAZ-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine?
The IUPAC name of 3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine (CID 171358770) is 3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine?
The canonical SMILES for 3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine is Fc1ccc(N2CCC(C3c4ccccc4-c4ccccc43)C2)cc1.
What is the InChIKey of 3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine?
The InChIKey is UREQBIQKAMGBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN/c24-17-9-11-18(12-10-17)25-14-13-16(15-25)23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,16,23H,13-15H2.
What are the key properties of 3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine?
3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine has a molecular weight of 329.42 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)-1-(4-fluorophenyl)pyrrolidine is sourced from PubChem (CID 171358770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).