pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane

C11H13F5OS — CID 155192419

IUPACpentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane
SMILESFS(F)(F)(F)(F)CC1(c2ccccc2)CCCO1
InChIInChI=1S/C11H13F5OS/c12-18(13,14,15,16)9-11(7-4-8-17-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyGSKHETXQVWDEKZ-UHFFFAOYSA-N
MW288.28 g/mol
LogP4.99
Rot. Bonds3

About pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane

pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane (PubChem CID 155192419) has the molecular formula C11H13F5OS and a molecular weight of 288.28 g/mol. Its IUPAC name is pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane
PubChem CID155192419
Molecular FormulaC11H13F5OS
Molecular Weight288.28 g/mol
Exact Mass288.06
IUPAC Namepentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane
SMILESFS(F)(F)(F)(F)CC1(c2ccccc2)CCCO1
InChIInChI=1S/C11H13F5OS/c12-18(13,14,15,16)9-11(7-4-8-17-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyGSKHETXQVWDEKZ-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane (CID 155192419) is pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane is FS(F)(F)(F)(F)CC1(c2ccccc2)CCCO1.
What is the InChIKey of pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane?
The InChIKey is GSKHETXQVWDEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5OS/c12-18(13,14,15,16)9-11(7-4-8-17-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2.
What are the key properties of pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane?
pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane has a molecular weight of 288.28 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[(2-phenyloxolan-2-yl)methyl]-λ6-sulfane is sourced from PubChem (CID 155192419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).