1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone

C18H18FNO2S — CID 53034648

IUPAC1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO2S/c19-15-8-6-14(7-9-15)12-22-16-10-20(11-16)18(21)13-23-17-4-2-1-3-5-17/h1-9,16H,10-13H2
InChIKeyISUFKCLWCIPBQG-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.35
Rot. Bonds6

About 1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone

1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone (PubChem CID 53034648) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone
PubChem CID53034648
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO2S/c19-15-8-6-14(7-9-15)12-22-16-10-20(11-16)18(21)13-23-17-4-2-1-3-5-17/h1-9,16H,10-13H2
InChIKeyISUFKCLWCIPBQG-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone?
The IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone (CID 53034648) is 1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone is O=C(CSc1ccccc1)N1CC(OCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone?
The InChIKey is ISUFKCLWCIPBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/c19-15-8-6-14(7-9-15)12-22-16-10-20(11-16)18(21)13-23-17-4-2-1-3-5-17/h1-9,16H,10-13H2.
What are the key properties of 1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone?
1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone has a molecular weight of 331.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-2-phenylsulfanylethanone is sourced from PubChem (CID 53034648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).