pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane

C10H13F5OS — CID 155192023

IUPACpentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane
SMILESCOC(C)(CS(F)(F)(F)(F)F)c1ccccc1
InChIInChI=1S/C10H13F5OS/c1-10(16-2,8-17(11,12,13,14)15)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyVAJSHUQCMSVEBO-UHFFFAOYSA-N
MW276.27 g/mol
LogP4.85
Rot. Bonds4

About pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane

pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane (PubChem CID 155192023) has the molecular formula C10H13F5OS and a molecular weight of 276.27 g/mol. Its IUPAC name is pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane
PubChem CID155192023
Molecular FormulaC10H13F5OS
Molecular Weight276.27 g/mol
Exact Mass276.06
IUPAC Namepentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane
SMILESCOC(C)(CS(F)(F)(F)(F)F)c1ccccc1
InChIInChI=1S/C10H13F5OS/c1-10(16-2,8-17(11,12,13,14)15)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyVAJSHUQCMSVEBO-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane?
The IUPAC name of pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane (CID 155192023) is pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane?
The canonical SMILES for pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane is COC(C)(CS(F)(F)(F)(F)F)c1ccccc1.
What is the InChIKey of pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane?
The InChIKey is VAJSHUQCMSVEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5OS/c1-10(16-2,8-17(11,12,13,14)15)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane?
pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane has a molecular weight of 276.27 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-(2-methoxy-2-phenylpropyl)-λ6-sulfane is sourced from PubChem (CID 155192023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).