4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole]

C23H16F6O2Se — CID 14959355

IUPAC4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole]
SMILESFC(F)(F)C1(C(F)(F)F)O[Se]2(CC(c3ccccc3)(c3ccccc3)O2)c2ccccc21
InChIInChI=1S/C23H16F6O2Se/c24-22(25,26)21(23(27,28)29)18-13-7-8-14-19(18)32(31-21)15-20(30-32,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyZKADIZBVROROBU-UHFFFAOYSA-N
MW517.33 g/mol
LogP5.66
Rot. Bonds2

About 4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole]

4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole] (PubChem CID 14959355) has the molecular formula C23H16F6O2Se and a molecular weight of 517.33 g/mol. Its IUPAC name is 4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole].

Molecular Properties

Compound Name4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole]
PubChem CID14959355
Molecular FormulaC23H16F6O2Se
Molecular Weight517.33 g/mol
Exact Mass518.02
IUPAC Name4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole]
SMILESFC(F)(F)C1(C(F)(F)F)O[Se]2(CC(c3ccccc3)(c3ccccc3)O2)c2ccccc21
InChIInChI=1S/C23H16F6O2Se/c24-22(25,26)21(23(27,28)29)18-13-7-8-14-19(18)32(31-21)15-20(30-32,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyZKADIZBVROROBU-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.33
LogP ≤ 55.66
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

1-Phenyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1lambda5-benzoxaphosphole]
CID 337230
1-Benzyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1lambda5-benzoxaphosphole]
CID 11093258
3,3-Dimethyl-2-phenyl-3',3'-bis(trifluoromethyl)spiro[1-selena-2lambda5-phosphacyclopropane-2,1'-2,1lambda5-benzoxaphosphole]
CID 12035132
1,1-Bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-3,3-dimethyl-1lambda4-selenetane
CID 12616921
1,1,1-Tris(4-methylphenyl)-3,3-bis(trifluoromethyl)-2,1lambda5-benzoxastibole
CID 16703557
3,3,3',3'-Tetrakis(trifluoromethyl)-1-(2,4,6-trimethylphenyl)-1,1'-spirobi[2,1lambda5-benzoxaphosphole]
CID 101153200
3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1lambda4-benzoxatellurole]
CID 337236
1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium
CID 6330533
Bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) sulfite
CID 329529
5-Fluoro-3,3-bis(4-fluorophenyl)benzo[c][1,2]oxaborol-1(3H)-ol
CID 139035950
2-Phenyl-3',3',4,4-tetrakis(trifluoromethyl)spiro[1-oxa-2lambda5-phosphacyclobutane-2,1'-2,1lambda5-benzoxaphosphole]
CID 12159513
2-[2-[1-Benzyl-1-methyl-3,3-bis(trifluoromethyl)-2,1lambda5-benzoxaphosphol-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 12973330

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole]?
The IUPAC name of 4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole] (CID 14959355) is 4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole].
What is the SMILES notation for 4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole]?
The canonical SMILES for 4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole] is FC(F)(F)C1(C(F)(F)F)O[Se]2(CC(c3ccccc3)(c3ccccc3)O2)c2ccccc21.
What is the InChIKey of 4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole]?
The InChIKey is ZKADIZBVROROBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6O2Se/c24-22(25,26)21(23(27,28)29)18-13-7-8-14-19(18)32(31-21)15-20(30-32,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole]?
4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole] has a molecular weight of 517.33 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-3',3'-bis(trifluoromethyl)spiro[1-oxa-2lambda4-selenacyclobutane-2,1'-2,1lambda4-benzoxaselenole] is sourced from PubChem (CID 14959355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).