1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one

C18H18FNO2 — CID 90667197

IUPAC1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one
SMILESCOc1ccccc1C1N(c2cccc(F)c2)C(=O)C1(C)C
InChIInChI=1S/C18H18FNO2/c1-18(2)16(14-9-4-5-10-15(14)22-3)20(17(18)21)13-8-6-7-12(19)11-13/h4-11,16H,1-3H3
InChIKeyJFMVLNZJPFDFKN-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.95
Rot. Bonds3

About 1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one

1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one (PubChem CID 90667197) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one
PubChem CID90667197
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one
SMILESCOc1ccccc1C1N(c2cccc(F)c2)C(=O)C1(C)C
InChIInChI=1S/C18H18FNO2/c1-18(2)16(14-9-4-5-10-15(14)22-3)20(17(18)21)13-8-6-7-12(19)11-13/h4-11,16H,1-3H3
InChIKeyJFMVLNZJPFDFKN-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one (CID 90667197) is 1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one is COc1ccccc1C1N(c2cccc(F)c2)C(=O)C1(C)C.
What is the InChIKey of 1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The InChIKey is JFMVLNZJPFDFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-18(2)16(14-9-4-5-10-15(14)22-3)20(17(18)21)13-8-6-7-12(19)11-13/h4-11,16H,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one?
1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one has a molecular weight of 299.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-(2-methoxyphenyl)-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 90667197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).