1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane

C23H20F12O2Se — CID 12616921

IUPAC1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane
SMILESCC1(C)C[Se](OC(c2ccccc2)(C(F)(F)F)C(F)(F)F)(OC(c2ccccc2)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C23H20F12O2Se/c1-17(2)13-38(14-17,36-18(20(24,25)26,21(27,28)29)15-9-5-3-6-10-15)37-19(22(30,31)32,23(33,34)35)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyALAWVJBOEJXOEP-UHFFFAOYSA-N
MW635.35 g/mol
LogP8.54
Rot. Bonds6

About 1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane

1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane (PubChem CID 12616921) has the molecular formula C23H20F12O2Se and a molecular weight of 635.35 g/mol. Its IUPAC name is 1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane.

Molecular Properties

Compound Name1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane
PubChem CID12616921
Molecular FormulaC23H20F12O2Se
Molecular Weight635.35 g/mol
Exact Mass636.04
IUPAC Name1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane
SMILESCC1(C)C[Se](OC(c2ccccc2)(C(F)(F)F)C(F)(F)F)(OC(c2ccccc2)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C23H20F12O2Se/c1-17(2)13-38(14-17,36-18(20(24,25)26,21(27,28)29)15-9-5-3-6-10-15)37-19(22(30,31)32,23(33,34)35)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyALAWVJBOEJXOEP-UHFFFAOYSA-N
XLogP8.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.35
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 6641
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1,1,1-Trifluoro-2,4-diphenyl-3-butene-2-ol
CID 11044091
1,1,1,4,4,4-Hexafluoro-2,3-bis(4-methylphenyl)butane-2,3-diol
CID 320081
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2,3-Diphenyl-2,3-bis(triethylsiloxy)hexafluorobutane
CID 12534368
2,3-Diphenyl-2,3-bis(triethylgermoxy)hexafluorobutane
CID 16693490
(Isopropylidene)bis(1-methyl-1-phenylethyl) peroxide
CID 77871
(1-Tert-butylperoxy-3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene
CID 132512763
3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1lambda4-benzoxatellurole]
CID 337236
2,2,3,3,4,4,4-Heptafluoro-1,1-diphenylbutan-1-ol
CID 238461

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane?
The IUPAC name of 1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane (CID 12616921) is 1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane.
What is the SMILES notation for 1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane?
The canonical SMILES for 1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane is CC1(C)C[Se](OC(c2ccccc2)(C(F)(F)F)C(F)(F)F)(OC(c2ccccc2)(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane?
The InChIKey is ALAWVJBOEJXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F12O2Se/c1-17(2)13-38(14-17,36-18(20(24,25)26,21(27,28)29)15-9-5-3-6-10-15)37-19(22(30,31)32,23(33,34)35)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane?
1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane has a molecular weight of 635.35 g/mol, XLogP of 8.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1λ4-selenetane is sourced from PubChem (CID 12616921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).