[1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate

C20H21F2NO2 — CID 142940382

IUPAC[1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate
SMILESCC(=O)OC(CCC1CN(c2ccc(F)cc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO2/c1-14(24)25-20(16-3-5-17(21)6-4-16)11-2-15-12-23(13-15)19-9-7-18(22)8-10-19/h3-10,15,20H,2,11-13H2,1H3
InChIKeyJJYPBKLRVSOCOY-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.49
Rot. Bonds6

About [1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate

[1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate (PubChem CID 142940382) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate
PubChem CID142940382
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name[1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate
SMILESCC(=O)OC(CCC1CN(c2ccc(F)cc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO2/c1-14(24)25-20(16-3-5-17(21)6-4-16)11-2-15-12-23(13-15)19-9-7-18(22)8-10-19/h3-10,15,20H,2,11-13H2,1H3
InChIKeyJJYPBKLRVSOCOY-UHFFFAOYSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate;4-[(E)-hept-2-en-2-yl]oxybutanoic acid
CID 142940381
[1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]propyl] acetate
CID 22252070
[(1S)-1-(4-fluorophenyl)-3-[(2S,3R)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4-oxoazetidin-3-yl]propyl] acetate
CID 11526292
[(1S)-1-(4-fluorophenyl)-3-[(3R,4S)-1-(4-fluorophenyl)-2-oxo-4-[4-(trifluoromethylsulfonyloxy)phenyl]azetidin-3-yl]propyl] acetate
CID 58895823
[2-[4-(2-benzhydryloxyethyl)-3-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)ethyl] acetate
CID 69236553
[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67280973
[(1S)-3-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(4-iodophenyl)-4-oxoazetidin-3-yl]-1-(4-fluorophenyl)propyl] acetate
CID 90993874
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
[4-[(2S)-3-[(3S)-3-acetyloxy-3-(4-fluorophenyl)propyl]-1-[4-(4-methylsulfonylbutyl)phenyl]-4-oxoazetidin-2-yl]phenyl] acetate
CID 59185606
3-butyl-1-(4-propan-2-ylphenyl)azetidine
CID 178164726
[4-[(2S,3R)-3-[(3S)-3-acetyloxy-3-(4-fluorophenyl)propyl]-1-[4-[3-(methanesulfonamido)propyl]phenyl]-4-oxoazetidin-2-yl]phenyl] acetate
CID 68657061

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate?
The IUPAC name of [1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate (CID 142940382) is [1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate.
What is the SMILES notation for [1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate?
The canonical SMILES for [1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate is CC(=O)OC(CCC1CN(c2ccc(F)cc2)C1)c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate?
The InChIKey is JJYPBKLRVSOCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-14(24)25-20(16-3-5-17(21)6-4-16)11-2-15-12-23(13-15)19-9-7-18(22)8-10-19/h3-10,15,20H,2,11-13H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate?
[1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate has a molecular weight of 345.39 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate is sourced from PubChem (CID 142940382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).