3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one

C24H24F2O5 — CID 2308179

IUPAC3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one
SMILESO=C1C2(CCCC13COC(c1ccc(F)cc1)OC3)COC(c1ccc(F)cc1)OC2
InChIInChI=1S/C24H24F2O5/c25-18-6-2-16(3-7-18)20-28-12-23(13-29-20)10-1-11-24(22(23)27)14-30-21(31-15-24)17-4-8-19(26)9-5-17/h2-9,20-21H,1,10-15H2
InChIKeyCEQFIOANQLVHGP-UHFFFAOYSA-N
MW430.45 g/mol
LogP4.48
Rot. Bonds2

About 3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one

3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one (PubChem CID 2308179) has the molecular formula C24H24F2O5 and a molecular weight of 430.45 g/mol. Its IUPAC name is 3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one.

Molecular Properties

Compound Name3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one
PubChem CID2308179
Molecular FormulaC24H24F2O5
Molecular Weight430.45 g/mol
Exact Mass430.16
IUPAC Name3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one
SMILESO=C1C2(CCCC13COC(c1ccc(F)cc1)OC3)COC(c1ccc(F)cc1)OC2
InChIInChI=1S/C24H24F2O5/c25-18-6-2-16(3-7-18)20-28-12-23(13-29-20)10-1-11-24(22(23)27)14-30-21(31-15-24)17-4-8-19(26)9-5-17/h2-9,20-21H,1,10-15H2
InChIKeyCEQFIOANQLVHGP-UHFFFAOYSA-N
XLogP4.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one with MolForge

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Related Compounds

3,11-Bis(4-hydroxyphenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one
CID 2308333
(2R,6R)-2-phenyl-6-phenylmethoxy-2-(trifluoromethyl)oxan-4-one
CID 14583904
6-Fluoro-2,2,6-trimethyl-5-(oxan-2-yloxy)-7-phenylmethoxyheptan-3-one
CID 134925023
Methyl 3-(2,4-difluorophenyl)-2,2-dimethyl-3-(oxan-2-yloxy)propanoate
CID 53773393
1-(2,4-Difluorophenyl)-2,2-dimethyl-1-(oxan-2-yloxy)pentan-3-one
CID 54214510
4-(2,4-Difluorophenyl)-3,3-dimethyl-4-(oxan-2-yloxy)butan-2-one
CID 54289858
2-(p-Fluorophenyl)-5-methyl-1,3-dioxan-5-yl-methyl ketone
CID 54352404
Ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate
CID 67802665
1-[1-[(2,4-Difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]propan-1-one
CID 67803276
1-[1-[(2,4-Difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one
CID 67803439
1-[1-[(2,4-Difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]ethanone
CID 67803550
1-[1-[(2,4-Difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one
CID 67803637

Frequently Asked Questions

What is the IUPAC name of 3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one?
The IUPAC name of 3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one (CID 2308179) is 3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one.
What is the SMILES notation for 3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one?
The canonical SMILES for 3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one is O=C1C2(CCCC13COC(c1ccc(F)cc1)OC3)COC(c1ccc(F)cc1)OC2.
What is the InChIKey of 3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one?
The InChIKey is CEQFIOANQLVHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O5/c25-18-6-2-16(3-7-18)20-28-12-23(13-29-20)10-1-11-24(22(23)27)14-30-21(31-15-24)17-4-8-19(26)9-5-17/h2-9,20-21H,1,10-15H2.
What are the key properties of 3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one?
3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one has a molecular weight of 430.45 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-bis(4-fluorophenyl)-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadecan-7-one is sourced from PubChem (CID 2308179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).