5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane

C7H11F5OS — CID 153367185

IUPAC5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane
SMILESCCS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5OS/c1-2-14(13)5-3-4-6(8,9)7(10,11)12/h2-5H2,1H3
InChIKeyFIQAENDIQODXKE-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.73
Rot. Bonds5

About 5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane

5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane (PubChem CID 153367185) has the molecular formula C7H11F5OS and a molecular weight of 238.22 g/mol. Its IUPAC name is 5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane.

Molecular Properties

Compound Name5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane
PubChem CID153367185
Molecular FormulaC7H11F5OS
Molecular Weight238.22 g/mol
Exact Mass238.05
IUPAC Name5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane
SMILESCCS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5OS/c1-2-14(13)5-3-4-6(8,9)7(10,11)12/h2-5H2,1H3
InChIKeyFIQAENDIQODXKE-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane?
The IUPAC name of 5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane (CID 153367185) is 5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane.
What is the SMILES notation for 5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane?
The canonical SMILES for 5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane is CCS(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane?
The InChIKey is FIQAENDIQODXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5OS/c1-2-14(13)5-3-4-6(8,9)7(10,11)12/h2-5H2,1H3.
What are the key properties of 5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane?
5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane has a molecular weight of 238.22 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfinyl-1,1,1,2,2-pentafluoropentane is sourced from PubChem (CID 153367185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).