3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine

C17H18FNS — CID 79459919

IUPAC3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine
SMILESFc1ccccc1C1(CCSc2ccccc2)CNC1
InChIInChI=1S/C17H18FNS/c18-16-9-5-4-8-15(16)17(12-19-13-17)10-11-20-14-6-2-1-3-7-14/h1-9,19H,10-13H2
InChIKeyWDZCFTOTLAVINJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.85
Rot. Bonds5

About 3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine

3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine (PubChem CID 79459919) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine
PubChem CID79459919
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine
SMILESFc1ccccc1C1(CCSc2ccccc2)CNC1
InChIInChI=1S/C17H18FNS/c18-16-9-5-4-8-15(16)17(12-19-13-17)10-11-20-14-6-2-1-3-7-14/h1-9,19H,10-13H2
InChIKeyWDZCFTOTLAVINJ-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine?
The IUPAC name of 3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine (CID 79459919) is 3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine?
The canonical SMILES for 3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine is Fc1ccccc1C1(CCSc2ccccc2)CNC1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine?
The InChIKey is WDZCFTOTLAVINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c18-16-9-5-4-8-15(16)17(12-19-13-17)10-11-20-14-6-2-1-3-7-14/h1-9,19H,10-13H2.
What are the key properties of 3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine?
3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine has a molecular weight of 287.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine is sourced from PubChem (CID 79459919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).