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

C24H18F3NO4 — CID 22475107

IUPAC[6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1cccc(F)c1)(c1cccc(F)c1)O2)N1CCOCC1
InChIInChI=1S/C24H18F3NO4/c25-17-5-1-3-15(11-17)24(16-4-2-6-18(26)12-16)31-21-13-19(20(27)14-22(21)32-24)23(29)28-7-9-30-10-8-28/h1-6,11-14H,7-10H2
InChIKeyDEGHWTDLPSPDGE-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.25
Rot. Bonds3

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

[6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone (PubChem CID 22475107) has the molecular formula C24H18F3NO4 and a molecular weight of 441.41 g/mol. Its IUPAC name is [6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
PubChem CID22475107
Molecular FormulaC24H18F3NO4
Molecular Weight441.41 g/mol
Exact Mass441.12
IUPAC Name[6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1cccc(F)c1)(c1cccc(F)c1)O2)N1CCOCC1
InChIInChI=1S/C24H18F3NO4/c25-17-5-1-3-15(11-17)24(16-4-2-6-18(26)12-16)31-21-13-19(20(27)14-22(21)32-24)23(29)28-7-9-30-10-8-28/h1-6,11-14H,7-10H2
InChIKeyDEGHWTDLPSPDGE-UHFFFAOYSA-N
XLogP4.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
CID 10002398
[2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
CID 22475027
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
benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
CID 160782561
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
(4S)-4-(3-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 886722
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
(6-bromo-2,2-diphenyl-1,3-benzodioxol-5-yl)-piperidin-1-ylmethanone
CID 22475170
3-fluoro-4-(morpholine-4-carbonyl)benzamide
CID 68509173

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone (CID 22475107) is [6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone is O=C(c1cc2c(cc1F)OC(c1cccc(F)c1)(c1cccc(F)c1)O2)N1CCOCC1.
What is the InChIKey of [6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is DEGHWTDLPSPDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO4/c25-17-5-1-3-15(11-17)24(16-4-2-6-18(26)12-16)31-21-13-19(20(27)14-22(21)32-24)23(29)28-7-9-30-10-8-28/h1-6,11-14H,7-10H2.
What are the key properties of [6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
[6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 441.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22475107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).