benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone

C24H24FNO4 — CID 160782561

IUPACbenzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OCO2)N1CCOCC1.c1ccccc1.c1ccccc1
InChIInChI=1S/C12H12FNO4.2C6H6/c13-9-6-11-10(17-7-18-11)5-8(9)12(15)14-1-3-16-4-2-14;2*1-2-4-6-5-3-1/h5-6H,1-4,7H2;2*1-6H
InChIKeySATPSQMQEQHYHC-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.40
Rot. Bonds1

About benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone

benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone (PubChem CID 160782561) has the molecular formula C24H24FNO4 and a molecular weight of 409.46 g/mol. Its IUPAC name is benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Namebenzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
PubChem CID160782561
Molecular FormulaC24H24FNO4
Molecular Weight409.46 g/mol
Exact Mass409.17
IUPAC Namebenzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OCO2)N1CCOCC1.c1ccccc1.c1ccccc1
InChIInChI=1S/C12H12FNO4.2C6H6/c13-9-6-11-10(17-7-18-11)5-8(9)12(15)14-1-3-16-4-2-14;2*1-2-4-6-5-3-1/h5-6H,1-4,7H2;2*1-6H
InChIKeySATPSQMQEQHYHC-UHFFFAOYSA-N
XLogP4.40
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.40
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
[6-fluoro-2,2-bis(3-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
CID 22475107
2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65371595
[2,2-bis(2,5-difluorophenyl)-6-fluoro-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
CID 22475027
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
CID 145213413
3-fluoro-4-(morpholine-4-carbonyl)benzamide
CID 68509173
[4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite
CID 146329829
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
1,3-benzodioxole-5,6-dicarboxylic acid
CID 610879
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216

Frequently Asked Questions

What is the IUPAC name of benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone (CID 160782561) is benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone is O=C(c1cc2c(cc1F)OCO2)N1CCOCC1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is SATPSQMQEQHYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4.2C6H6/c13-9-6-11-10(17-7-18-11)5-8(9)12(15)14-1-3-16-4-2-14;2*1-2-4-6-5-3-1/h5-6H,1-4,7H2;2*1-6H.
What are the key properties of benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 409.46 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 160782561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).