4-(3-fluorophenyl)-3-methylazetidin-2-one

C10H10FNO — CID 114873177

IUPAC4-(3-fluorophenyl)-3-methylazetidin-2-one
SMILESCC1C(=O)NC1c1cccc(F)c1
InChIInChI=1S/C10H10FNO/c1-6-9(12-10(6)13)7-3-2-4-8(11)5-7/h2-6,9H,1H3,(H,12,13)
InChIKeyWCCAXHLWVDRTLN-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.63
Rot. Bonds1

About 4-(3-fluorophenyl)-3-methylazetidin-2-one

4-(3-fluorophenyl)-3-methylazetidin-2-one (PubChem CID 114873177) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-methylazetidin-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-methylazetidin-2-one
PubChem CID114873177
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-(3-fluorophenyl)-3-methylazetidin-2-one
SMILESCC1C(=O)NC1c1cccc(F)c1
InChIInChI=1S/C10H10FNO/c1-6-9(12-10(6)13)7-3-2-4-8(11)5-7/h2-6,9H,1H3,(H,12,13)
InChIKeyWCCAXHLWVDRTLN-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
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(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
(2R,3S,5R,6S)-2,6-bis(3-fluorophenyl)-N-methoxy-3,5-dimethylpiperidin-4-imine
CID 57396354
3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
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2-(3-fluorophenyl)azetidine-3-carboxylic acid
CID 105448727
(4R,5S)-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 69318312
3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83242288
3-ethyl-2-(3-fluorophenyl)pyrrolidine
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(2R)-2-(3-fluorophenyl)cyclobutan-1-one
CID 129416002

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-methylazetidin-2-one?
The IUPAC name of 4-(3-fluorophenyl)-3-methylazetidin-2-one (CID 114873177) is 4-(3-fluorophenyl)-3-methylazetidin-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-3-methylazetidin-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-3-methylazetidin-2-one is CC1C(=O)NC1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-3-methylazetidin-2-one?
The InChIKey is WCCAXHLWVDRTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6-9(12-10(6)13)7-3-2-4-8(11)5-7/h2-6,9H,1H3,(H,12,13).
What are the key properties of 4-(3-fluorophenyl)-3-methylazetidin-2-one?
4-(3-fluorophenyl)-3-methylazetidin-2-one has a molecular weight of 179.19 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-methylazetidin-2-one is sourced from PubChem (CID 114873177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).