pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane

C13H11F5OS — CID 44603659

IUPACpentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C13H11F5OS/c14-20(15,16,17,18)13-8-6-12(7-9-13)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyLWURBRFWJLITKB-UHFFFAOYSA-N
MW310.29 g/mol
LogP5.92
Rot. Bonds4

About pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane

pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane (PubChem CID 44603659) has the molecular formula C13H11F5OS and a molecular weight of 310.29 g/mol. Its IUPAC name is pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane
PubChem CID44603659
Molecular FormulaC13H11F5OS
Molecular Weight310.29 g/mol
Exact Mass310.05
IUPAC Namepentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C13H11F5OS/c14-20(15,16,17,18)13-8-6-12(7-9-13)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyLWURBRFWJLITKB-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.29
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane?
The IUPAC name of pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane (CID 44603659) is pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane?
The canonical SMILES for pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane is FS(F)(F)(F)(F)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane?
The InChIKey is LWURBRFWJLITKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F5OS/c14-20(15,16,17,18)13-8-6-12(7-9-13)19-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane?
pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane has a molecular weight of 310.29 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-(4-phenylmethoxyphenyl)-λ6-sulfane is sourced from PubChem (CID 44603659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).