1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone

C17H13F2NO4 — CID 134788063

IUPAC1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CC(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C17H13F2NO4/c18-11-2-4-14(13(19)6-11)24-12-7-20(8-12)17(21)10-1-3-15-16(5-10)23-9-22-15/h1-6,12H,7-9H2
InChIKeyVGKIHNKGDUGVPO-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.60
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone

1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone (PubChem CID 134788063) has the molecular formula C17H13F2NO4 and a molecular weight of 333.29 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone
PubChem CID134788063
Molecular FormulaC17H13F2NO4
Molecular Weight333.29 g/mol
Exact Mass333.08
IUPAC Name1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CC(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C17H13F2NO4/c18-11-2-4-14(13(19)6-11)24-12-7-20(8-12)17(21)10-1-3-15-16(5-10)23-9-22-15/h1-6,12H,7-9H2
InChIKeyVGKIHNKGDUGVPO-UHFFFAOYSA-N
XLogP2.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
1,3-benzodioxol-5-yl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369219
4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265539
1,3-benzodioxol-5-yl-(2,4,6-trifluorophenyl)methanone
CID 43338555
6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248703
1,3-benzodioxol-5-yl-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 124891027
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844104
1-(1,3-benzodioxole-5-carbonyl)-N-[2-(4-fluorophenyl)ethyl]azetidine-3-carboxamide
CID 90512937
1,3-benzodioxol-5-yl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370807
(3S,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950427
1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone
CID 43337477

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone (CID 134788063) is 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CC(Oc2ccc(F)cc2F)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone?
The InChIKey is VGKIHNKGDUGVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO4/c18-11-2-4-14(13(19)6-11)24-12-7-20(8-12)17(21)10-1-3-15-16(5-10)23-9-22-15/h1-6,12H,7-9H2.
What are the key properties of 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone has a molecular weight of 333.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 134788063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).