2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran

C24H16F6OSe2 — CID 154713143

IUPAC2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran
SMILESFC(F)(F)c1cccc([Se]C2=C([Se]c3cccc(C(F)(F)F)c3)C(c3ccccc3)OC2)c1
InChIInChI=1S/C24H16F6OSe2/c25-23(26,27)16-8-4-10-18(12-16)32-20-14-31-21(15-6-2-1-3-7-15)22(20)33-19-11-5-9-17(13-19)24(28,29)30/h1-13,21H,14H2
InChIKeyLDJJUEYYLJILBP-UHFFFAOYSA-N
MW592.30 g/mol
LogP5.07
Rot. Bonds5

About 2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran

2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran (PubChem CID 154713143) has the molecular formula C24H16F6OSe2 and a molecular weight of 592.30 g/mol. Its IUPAC name is 2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran.

Molecular Properties

Compound Name2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran
PubChem CID154713143
Molecular FormulaC24H16F6OSe2
Molecular Weight592.30 g/mol
Exact Mass593.94
IUPAC Name2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran
SMILESFC(F)(F)c1cccc([Se]C2=C([Se]c3cccc(C(F)(F)F)c3)C(c3ccccc3)OC2)c1
InChIInChI=1S/C24H16F6OSe2/c25-23(26,27)16-8-4-10-18(12-16)32-20-14-31-21(15-6-2-1-3-7-15)22(20)33-19-11-5-9-17(13-19)24(28,29)30/h1-13,21H,14H2
InChIKeyLDJJUEYYLJILBP-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.30
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bis(1-phenylethyl) ether
CID 62342
Ethyl trityl ether
CID 294563
Bis(diphenylmethyl) ether
CID 11323
2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-biphenyl
CID 18546500
Diphenylmethyl propyl ether
CID 4651659
1-[(1-Phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 71583093
Furan, 2,5-diphenyl-tetrahydro-
CID 576417
Tert-butyl diphenylmethyl ether
CID 255804
3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3.2.1]octane
CID 76313446
((1-Phenylethoxy)methyl)benzene
CID 11127587
1,1'-[Oxybis(2,2,2-trifluoro-1,1-ethanediyl)]dibenzene
CID 13207006
Flunarizine impurity 53
CID 53473155

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran?
The IUPAC name of 2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran (CID 154713143) is 2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran.
What is the SMILES notation for 2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran?
The canonical SMILES for 2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran is FC(F)(F)c1cccc([Se]C2=C([Se]c3cccc(C(F)(F)F)c3)C(c3ccccc3)OC2)c1.
What is the InChIKey of 2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran?
The InChIKey is LDJJUEYYLJILBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6OSe2/c25-23(26,27)16-8-4-10-18(12-16)32-20-14-31-21(15-6-2-1-3-7-15)22(20)33-19-11-5-9-17(13-19)24(28,29)30/h1-13,21H,14H2.
What are the key properties of 2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran?
2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran has a molecular weight of 592.30 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-bis[[3-(trifluoromethyl)phenyl]selanyl]-2,5-dihydrofuran is sourced from PubChem (CID 154713143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).