pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane

C18H19F5OS — CID 155206596

IUPACpentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane
SMILESC=C(C)COC(CS(F)(F)(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19F5OS/c1-15(2)13-24-18(14-25(19,20,21,22)23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3
InChIKeyCMRAMMWLPUCKMM-UHFFFAOYSA-N
MW378.41 g/mol
LogP6.82
Rot. Bonds7

About pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane

pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane (PubChem CID 155206596) has the molecular formula C18H19F5OS and a molecular weight of 378.41 g/mol. Its IUPAC name is pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane
PubChem CID155206596
Molecular FormulaC18H19F5OS
Molecular Weight378.41 g/mol
Exact Mass378.11
IUPAC Namepentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane
SMILESC=C(C)COC(CS(F)(F)(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19F5OS/c1-15(2)13-24-18(14-25(19,20,21,22)23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3
InChIKeyCMRAMMWLPUCKMM-UHFFFAOYSA-N
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane (CID 155206596) is pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane is C=C(C)COC(CS(F)(F)(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane?
The InChIKey is CMRAMMWLPUCKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F5OS/c1-15(2)13-24-18(14-25(19,20,21,22)23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3.
What are the key properties of pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane?
pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane has a molecular weight of 378.41 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-λ6-sulfane is sourced from PubChem (CID 155206596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).