1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine

C19H23FN2OS — CID 77078553

IUPAC1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine
SMILESFc1ccccc1OC1CN(Cc2ccc(CN3CCCC3)s2)C1
InChIInChI=1S/C19H23FN2OS/c20-18-5-1-2-6-19(18)23-15-11-22(12-15)14-17-8-7-16(24-17)13-21-9-3-4-10-21/h1-2,5-8,15H,3-4,9-14H2
InChIKeyWDHPJMNKHGOJAA-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.75
Rot. Bonds6

About 1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine

1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine (PubChem CID 77078553) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine
PubChem CID77078553
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine
SMILESFc1ccccc1OC1CN(Cc2ccc(CN3CCCC3)s2)C1
InChIInChI=1S/C19H23FN2OS/c20-18-5-1-2-6-19(18)23-15-11-22(12-15)14-17-8-7-16(24-17)13-21-9-3-4-10-21/h1-2,5-8,15H,3-4,9-14H2
InChIKeyWDHPJMNKHGOJAA-UHFFFAOYSA-N
XLogP3.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine (CID 77078553) is 1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine is Fc1ccccc1OC1CN(Cc2ccc(CN3CCCC3)s2)C1.
What is the InChIKey of 1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine?
The InChIKey is WDHPJMNKHGOJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c20-18-5-1-2-6-19(18)23-15-11-22(12-15)14-17-8-7-16(24-17)13-21-9-3-4-10-21/h1-2,5-8,15H,3-4,9-14H2.
What are the key properties of 1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine?
1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine has a molecular weight of 346.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine is sourced from PubChem (CID 77078553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).