pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane

C12H17F5OS — CID 155206720

IUPACpentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane
SMILESCC(C)OC(C)(CS(F)(F)(F)(F)F)c1ccccc1
InChIInChI=1S/C12H17F5OS/c1-10(2)18-12(3,9-19(13,14,15,16)17)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyIVQNZBGCVYWFES-UHFFFAOYSA-N
MW304.32 g/mol
LogP5.63
Rot. Bonds5

About pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane

pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane (PubChem CID 155206720) has the molecular formula C12H17F5OS and a molecular weight of 304.32 g/mol. Its IUPAC name is pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane
PubChem CID155206720
Molecular FormulaC12H17F5OS
Molecular Weight304.32 g/mol
Exact Mass304.09
IUPAC Namepentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane
SMILESCC(C)OC(C)(CS(F)(F)(F)(F)F)c1ccccc1
InChIInChI=1S/C12H17F5OS/c1-10(2)18-12(3,9-19(13,14,15,16)17)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyIVQNZBGCVYWFES-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.32
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane?
The IUPAC name of pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane (CID 155206720) is pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane?
The canonical SMILES for pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane is CC(C)OC(C)(CS(F)(F)(F)(F)F)c1ccccc1.
What is the InChIKey of pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane?
The InChIKey is IVQNZBGCVYWFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F5OS/c1-10(2)18-12(3,9-19(13,14,15,16)17)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane?
pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane has a molecular weight of 304.32 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-λ6-sulfane is sourced from PubChem (CID 155206720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).