7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine

C20H18FNO2S — CID 10108866

IUPAC7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine
SMILESCS(=O)(=O)c1ccc(-c2cn3c(c2-c2ccc(F)cc2)CCC3)cc1
InChIInChI=1S/C20H18FNO2S/c1-25(23,24)17-10-6-14(7-11-17)18-13-22-12-2-3-19(22)20(18)15-4-8-16(21)9-5-15/h4-11,13H,2-3,12H2,1H3
InChIKeyMOXNAMUAHAVQHG-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.31
Rot. Bonds3

About 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine

7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine (PubChem CID 10108866) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine
PubChem CID10108866
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine
SMILESCS(=O)(=O)c1ccc(-c2cn3c(c2-c2ccc(F)cc2)CCC3)cc1
InChIInChI=1S/C20H18FNO2S/c1-25(23,24)17-10-6-14(7-11-17)18-13-22-12-2-3-19(22)20(18)15-4-8-16(21)9-5-15/h4-11,13H,2-3,12H2,1H3
InChIKeyMOXNAMUAHAVQHG-UHFFFAOYSA-N
XLogP4.31
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine (CID 10108866) is 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine is CS(=O)(=O)c1ccc(-c2cn3c(c2-c2ccc(F)cc2)CCC3)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine?
The InChIKey is MOXNAMUAHAVQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-25(23,24)17-10-6-14(7-11-17)18-13-22-12-2-3-19(22)20(18)15-4-8-16(21)9-5-15/h4-11,13H,2-3,12H2,1H3.
What are the key properties of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine?
7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine has a molecular weight of 355.43 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 10108866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).