5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione

C12H10F6O8 — CID 163685803

IUPAC5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione
SMILESO=C1OC(O)C2C1(OCC(F)(F)F)C1C(O)OC(=O)C21OCC(F)(F)F
InChIInChI=1S/C12H10F6O8/c13-9(14,15)1-23-11-3(5(19)25-7(11)21)12(24-2-10(16,17)18)4(11)6(20)26-8(12)22/h3-6,19-20H,1-2H2
InChIKeyJOTQCVUVHWGFQU-UHFFFAOYSA-N
MW396.19 g/mol
LogP-0.38
Rot. Bonds4

About 5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione

5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione (PubChem CID 163685803) has the molecular formula C12H10F6O8 and a molecular weight of 396.19 g/mol. Its IUPAC name is 5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione.

Molecular Properties

Compound Name5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione
PubChem CID163685803
Molecular FormulaC12H10F6O8
Molecular Weight396.19 g/mol
Exact Mass396.03
IUPAC Name5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione
SMILESO=C1OC(O)C2C1(OCC(F)(F)F)C1C(O)OC(=O)C21OCC(F)(F)F
InChIInChI=1S/C12H10F6O8/c13-9(14,15)1-23-11-3(5(19)25-7(11)21)12(24-2-10(16,17)18)4(11)6(20)26-8(12)22/h3-6,19-20H,1-2H2
InChIKeyJOTQCVUVHWGFQU-UHFFFAOYSA-N
XLogP-0.38
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane
CID 14140927
3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one
CID 106492828
5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one
CID 14811838
4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 59435091
4-(2,2,2-trifluoroethoxy)thiane-4-carboxylic acid
CID 114994188
4-hydroxy-8-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 59562788
2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid
CID 103272470
6-ethyl-5-hydroxy-5-(trifluoromethyl)-1,4-dioxane-2,3-dione
CID 140973456
3,4-bis(2,2,2-trifluoroethoxy)cyclobut-3-ene-1,2-dione
CID 59805379
(10S,11R,12R)-10-cyclopropyl-4,5-dimethyl-12-phenyl-10-(2,2,2-trifluoroethoxy)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol
CID 24986146
(4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one
CID 131848912
(4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one
CID 177413972

Frequently Asked Questions

What is the IUPAC name of 5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione?
The IUPAC name of 5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione (CID 163685803) is 5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione.
What is the SMILES notation for 5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione?
The canonical SMILES for 5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione is O=C1OC(O)C2C1(OCC(F)(F)F)C1C(O)OC(=O)C21OCC(F)(F)F.
What is the InChIKey of 5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione?
The InChIKey is JOTQCVUVHWGFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6O8/c13-9(14,15)1-23-11-3(5(19)25-7(11)21)12(24-2-10(16,17)18)4(11)6(20)26-8(12)22/h3-6,19-20H,1-2H2.
What are the key properties of 5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione?
5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione has a molecular weight of 396.19 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione is sourced from PubChem (CID 163685803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).