[2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone

C24H16F5NO4 — CID 22475027

IUPAC[2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1cc(F)ccc1F)(c1cc(F)ccc1F)O2)N1CCOCC1
InChIInChI=1S/C24H16F5NO4/c25-13-1-3-18(27)16(9-13)24(17-10-14(26)2-4-19(17)28)33-21-11-15(20(29)12-22(21)34-24)23(31)30-5-7-32-8-6-30/h1-4,9-12H,5-8H2
InChIKeyPKSUZKLELJHAEG-UHFFFAOYSA-N
MW477.39 g/mol
LogP4.53
Rot. Bonds3

About [2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone

[2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone (PubChem CID 22475027) has the molecular formula C24H16F5NO4 and a molecular weight of 477.39 g/mol. Its IUPAC name is [2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
PubChem CID22475027
Molecular FormulaC24H16F5NO4
Molecular Weight477.39 g/mol
Exact Mass477.10
IUPAC Name[2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1cc(F)ccc1F)(c1cc(F)ccc1F)O2)N1CCOCC1
InChIInChI=1S/C24H16F5NO4/c25-13-1-3-18(27)16(9-13)24(17-10-14(26)2-4-19(17)28)33-21-11-15(20(29)12-22(21)34-24)23(31)30-5-7-32-8-6-30/h1-4,9-12H,5-8H2
InChIKeyPKSUZKLELJHAEG-UHFFFAOYSA-N
XLogP4.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone
CID 11363335
[6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
CID 22475107
[6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
CID 10002398
benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
CID 160782561
[2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-thiomorpholin-4-ylmethanone
CID 22475118
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-pyrrolidin-1-ylmethanone
CID 22475100
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
3-fluoro-4-(morpholine-4-carbonyl)benzamide
CID 68509173
(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
CID 83290736
2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65371595
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone (CID 22475027) is [2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone is O=C(c1cc2c(cc1F)OC(c1cc(F)ccc1F)(c1cc(F)ccc1F)O2)N1CCOCC1.
What is the InChIKey of [2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is PKSUZKLELJHAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F5NO4/c25-13-1-3-18(27)16(9-13)24(17-10-14(26)2-4-19(17)28)33-21-11-15(20(29)12-22(21)34-24)23(31)30-5-7-32-8-6-30/h1-4,9-12H,5-8H2.
What are the key properties of [2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
[2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 477.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22475027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).