2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane

C26H22F6O4 — CID 175398131

IUPAC2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane
SMILESCOc1ccc(C2OC(F)(c3ccc(OC)cc3)C(F)(F)C(F)(c3ccc(OC)cc3)C2(F)F)cc1
InChIInChI=1S/C26H22F6O4/c1-33-19-10-4-16(5-11-19)22-24(28,29)23(27,17-6-12-20(34-2)13-7-17)26(31,32)25(30,36-22)18-8-14-21(35-3)15-9-18/h4-15,22H,1-3H3
InChIKeyIXIRSASDHVJGOF-UHFFFAOYSA-N
MW512.45 g/mol
LogP6.74
Rot. Bonds6

About 2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane

2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane (PubChem CID 175398131) has the molecular formula C26H22F6O4 and a molecular weight of 512.45 g/mol. Its IUPAC name is 2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane.

Molecular Properties

Compound Name2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane
PubChem CID175398131
Molecular FormulaC26H22F6O4
Molecular Weight512.45 g/mol
Exact Mass512.14
IUPAC Name2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane
SMILESCOc1ccc(C2OC(F)(c3ccc(OC)cc3)C(F)(F)C(F)(c3ccc(OC)cc3)C2(F)F)cc1
InChIInChI=1S/C26H22F6O4/c1-33-19-10-4-16(5-11-19)22-24(28,29)23(27,17-6-12-20(34-2)13-7-17)26(31,32)25(30,36-22)18-8-14-21(35-3)15-9-18/h4-15,22H,1-3H3
InChIKeyIXIRSASDHVJGOF-UHFFFAOYSA-N
XLogP6.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.45
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran
CID 177425365
[(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol
CID 141365538
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
(6R)-6-(4-methoxyphenyl)-3,3,5,5-tetramethyloxane-2,4-dione
CID 723175
4-(4-methoxyphenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 56986398
methyl (2Z,2S,3R)-N-tert-butylsulfinyl-3-(4-methoxyphenyl)-2-phenyloxirane-2-carboximidate
CID 177451825
ethyl (2S,3R)-3-(4-methoxyphenyl)-2-methyloxirane-2-carboxylate
CID 11264847
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
ethyl (2S,3R)-2-ethyl-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 793344
(4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane
CID 10809404
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane?
The IUPAC name of 2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane (CID 175398131) is 2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane.
What is the SMILES notation for 2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane?
The canonical SMILES for 2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane is COc1ccc(C2OC(F)(c3ccc(OC)cc3)C(F)(F)C(F)(c3ccc(OC)cc3)C2(F)F)cc1.
What is the InChIKey of 2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane?
The InChIKey is IXIRSASDHVJGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6O4/c1-33-19-10-4-16(5-11-19)22-24(28,29)23(27,17-6-12-20(34-2)13-7-17)26(31,32)25(30,36-22)18-8-14-21(35-3)15-9-18/h4-15,22H,1-3H3.
What are the key properties of 2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane?
2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane has a molecular weight of 512.45 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane is sourced from PubChem (CID 175398131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).