1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine

C24H22ClN — CID 171342337

IUPAC1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine
SMILESClc1ccc(CN2CCC(C3c4ccccc4-c4ccccc43)C2)cc1
InChIInChI=1S/C24H22ClN/c25-19-11-9-17(10-12-19)15-26-14-13-18(16-26)24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,18,24H,13-16H2
InChIKeyXYGQXGFJNHBSTC-UHFFFAOYSA-N
MW359.90 g/mol
LogP5.97
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine

1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine (PubChem CID 171342337) has the molecular formula C24H22ClN and a molecular weight of 359.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine
PubChem CID171342337
Molecular FormulaC24H22ClN
Molecular Weight359.90 g/mol
Exact Mass359.14
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine
SMILESClc1ccc(CN2CCC(C3c4ccccc4-c4ccccc43)C2)cc1
InChIInChI=1S/C24H22ClN/c25-19-11-9-17(10-12-19)15-26-14-13-18(16-26)24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,18,24H,13-16H2
InChIKeyXYGQXGFJNHBSTC-UHFFFAOYSA-N
XLogP5.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine (CID 171342337) is 1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine is Clc1ccc(CN2CCC(C3c4ccccc4-c4ccccc43)C2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine?
The InChIKey is XYGQXGFJNHBSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN/c25-19-11-9-17(10-12-19)15-26-14-13-18(16-26)24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,18,24H,13-16H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine?
1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine has a molecular weight of 359.90 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine is sourced from PubChem (CID 171342337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).