1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine

C19H18Cl2FNO — CID 11394459

IUPAC1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine
SMILESFc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(CN1CCCC1)C2
InChIInChI=1S/C19H18Cl2FNO/c20-16-4-3-5-17(21)18(16)15-10-13(22)8-12-9-14(24-19(12)15)11-23-6-1-2-7-23/h3-5,8,10,14H,1-2,6-7,9,11H2
InChIKeyLMXYAOMMXWIEPV-UHFFFAOYSA-N
MW366.26 g/mol
LogP5.20
Rot. Bonds3

About 1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine

1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine (PubChem CID 11394459) has the molecular formula C19H18Cl2FNO and a molecular weight of 366.26 g/mol. Its IUPAC name is 1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine
PubChem CID11394459
Molecular FormulaC19H18Cl2FNO
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine
SMILESFc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(CN1CCCC1)C2
InChIInChI=1S/C19H18Cl2FNO/c20-16-4-3-5-17(21)18(16)15-10-13(22)8-12-9-14(24-19(12)15)11-23-6-1-2-7-23/h3-5,8,10,14H,1-2,6-7,9,11H2
InChIKeyLMXYAOMMXWIEPV-UHFFFAOYSA-N
XLogP5.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.26
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine (CID 11394459) is 1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine is Fc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(CN1CCCC1)C2.
What is the InChIKey of 1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine?
The InChIKey is LMXYAOMMXWIEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FNO/c20-16-4-3-5-17(21)18(16)15-10-13(22)8-12-9-14(24-19(12)15)11-23-6-1-2-7-23/h3-5,8,10,14H,1-2,6-7,9,11H2.
What are the key properties of 1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine?
1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine has a molecular weight of 366.26 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine is sourced from PubChem (CID 11394459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).