(6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone

C24H20FNO4 — CID 10024236

IUPAC(6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1
InChIInChI=1S/C24H20FNO4/c25-20-16-22-21(15-19(20)23(27)26-11-13-28-14-12-26)29-24(30-22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyZAQILESACFCOBN-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.97
Rot. Bonds3

About (6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone

(6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone (PubChem CID 10024236) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is (6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
PubChem CID10024236
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name(6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1
InChIInChI=1S/C24H20FNO4/c25-20-16-22-21(15-19(20)23(27)26-11-13-28-14-12-26)29-24(30-22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyZAQILESACFCOBN-UHFFFAOYSA-N
XLogP3.97
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Benzodioxol-5-yl-1-piperidinylmethanone
CID 1370
Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone
CID 669592
Piperazine, 1-benzoyl-4-piperonyl-
CID 201764
N-(1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11539096
(2,2-Bis(2,4-difluorophenyl)-6-fluorobenzo[d][1,3]dioxol-5-yl)(piperidin-1-yl)methanone
CID 22475030
1-(1,3-Benzodioxol-5-ylcarbonyl)-4-methylpiperidine
CID 5237226
1,3-benzodioxol-5-yl(3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 661117
Morpholine, 4-(1,3-benzodioxol-5-ylcarbonyl)-
CID 785894
4-[(S)-((2S,5R)-4-Benzo[1,3]dioxol-5-ylmethyl-2,5-dimethyl-piperazin-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide
CID 9871102
N-[2-(4-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 2996143
1,3-Benzodioxol-5-yl(4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl)methanone
CID 590865
N-Methyl-N-(phenylmethyl)-1,3-benzodioxole-5-carboxamide
CID 654191

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone (CID 10024236) is (6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone is O=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1.
What is the InChIKey of (6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is ZAQILESACFCOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO4/c25-20-16-22-21(15-19(20)23(27)26-11-13-28-14-12-26)29-24(30-22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2.
What are the key properties of (6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone?
(6-fluoro-2,2-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 405.43 g/mol, XLogP of 3.97, 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-diphenyl-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 10024236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).