1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one

C12H12FNO2 — CID 143425472

IUPAC1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
SMILESO=C(CCN1CCC1=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO2/c13-10-3-1-9(2-4-10)11(15)5-7-14-8-6-12(14)16/h1-4H,5-8H2
InChIKeyGHMTXSZOELYVGD-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.63
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one

1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one (PubChem CID 143425472) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
PubChem CID143425472
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
SMILESO=C(CCN1CCC1=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO2/c13-10-3-1-9(2-4-10)11(15)5-7-14-8-6-12(14)16/h1-4H,5-8H2
InChIKeyGHMTXSZOELYVGD-UHFFFAOYSA-N
XLogP1.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one
CID 62023163
4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
CID 104512227
1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103502441
2-[3-(4-fluorophenyl)-3-oxopropyl]-3H-isoindol-1-one
CID 62025088
2-[3-(4-fluorophenyl)-3-oxopropyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855659
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793154
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione
CID 79937414
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione
CID 167776034
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793238
1-[2-(4-fluorophenyl)-2-oxoethyl]-5,5-dimethylazepan-2-one
CID 65284577
1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one
CID 95463875

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one (CID 143425472) is 1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one is O=C(CCN1CCC1=O)c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one?
The InChIKey is GHMTXSZOELYVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-10-3-1-9(2-4-10)11(15)5-7-14-8-6-12(14)16/h1-4H,5-8H2.
What are the key properties of 1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one?
1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one has a molecular weight of 221.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one is sourced from PubChem (CID 143425472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).