5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane]

C26H23F3O — CID 46187652

IUPAC5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane]
SMILESFC(F)(F)c1c(-c2ccccc2)c(-c2ccccc2)cc2c1C1(CCCCC1)OC2
InChIInChI=1S/C26H23F3O/c27-26(28,29)24-22(19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)16-20-17-30-25(23(20)24)14-8-3-9-15-25/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2
InChIKeyVJIVQHIEILQDOC-UHFFFAOYSA-N
MW408.46 g/mol
LogP7.73
Rot. Bonds2

About 5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane]

5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane] (PubChem CID 46187652) has the molecular formula C26H23F3O and a molecular weight of 408.46 g/mol. Its IUPAC name is 5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane].

Molecular Properties

Compound Name5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane]
PubChem CID46187652
Molecular FormulaC26H23F3O
Molecular Weight408.46 g/mol
Exact Mass408.17
IUPAC Name5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane]
SMILESFC(F)(F)c1c(-c2ccccc2)c(-c2ccccc2)cc2c1C1(CCCCC1)OC2
InChIInChI=1S/C26H23F3O/c27-26(28,29)24-22(19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)16-20-17-30-25(23(20)24)14-8-3-9-15-25/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2
InChIKeyVJIVQHIEILQDOC-UHFFFAOYSA-N
XLogP7.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane] with MolForge

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Related Compounds

2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-biphenyl
CID 18546500
3-(5-(3-Fluorophenyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
CID 46914187
1-[Ethoxy(diphenyl)methyl]-4-phenylbenzene
CID 44344492
1,4-Epoxyanthracene, 1,4-dihydro-
CID 312131
(12R,15S)-2,2,3,3,8,8,9,9-octafluoro-19-oxapentacyclo[8.6.2.24,7.112,15.011,16]henicosa-1(16),4,6,10,13,17,20-heptaene
CID 10884261
3,4-Bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran
CID 154711892
Bis(4-biphenylmethyl)ether
CID 173169
1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene
CID 271454
6-(Trifluoromethyl)-1,4-dihydro-1,4-epoxynaphthalene
CID 12153293
2,2,5,5-Tetraphenyltetrahydrofuran
CID 570295
Phthalan, 1,1-dimethyl-3-phenyl-
CID 610622
Bis[1-(naphthalen-2-yl)ethyl] ether
CID 12025675

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane]?
The IUPAC name of 5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane] (CID 46187652) is 5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane].
What is the SMILES notation for 5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane]?
The canonical SMILES for 5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane] is FC(F)(F)c1c(-c2ccccc2)c(-c2ccccc2)cc2c1C1(CCCCC1)OC2.
What is the InChIKey of 5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane]?
The InChIKey is VJIVQHIEILQDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3O/c27-26(28,29)24-22(19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)16-20-17-30-25(23(20)24)14-8-3-9-15-25/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2.
What are the key properties of 5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane]?
5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane] has a molecular weight of 408.46 g/mol, XLogP of 7.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane] is sourced from PubChem (CID 46187652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).