trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane

C5H3F11OS — CID 12653218

IUPACtrifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COS(F)(F)F
InChIInChI=1S/C5H3F11OS/c6-2(7)4(10,11)5(12,13)3(8,9)1-17-18(14,15)16/h2H,1H2
InChIKeyFZSZYPOZZVONJM-UHFFFAOYSA-N
MW320.12 g/mol
LogP4.55
Rot. Bonds6

About trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane

trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane (PubChem CID 12653218) has the molecular formula C5H3F11OS and a molecular weight of 320.12 g/mol. Its IUPAC name is trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane
PubChem CID12653218
Molecular FormulaC5H3F11OS
Molecular Weight320.12 g/mol
Exact Mass319.97
IUPAC Nametrifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COS(F)(F)F
InChIInChI=1S/C5H3F11OS/c6-2(7)4(10,11)5(12,13)3(8,9)1-17-18(14,15)16/h2H,1H2
InChIKeyFZSZYPOZZVONJM-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(Difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
CID 22436579
2,2,3,3,4,4,5,5-Octafluoropentyl hypochlorite
CID 12600159
1,1,2,2,3,3,4,4-Octafluoro-5-fluorosulfinyloxypentane
CID 12653221
1,1,1,2,3,3,4,4-Octafluoro-5-(trifluoromethoxy)pentane
CID 19063496
1,1,1,2,2,3,3,4,4-Nonafluoro-5-(trifluoromethoxy)pentane
CID 19063502
1,2,2,3,3,4,4,5,5-Nonafluoropentyl hypofluorite
CID 20600108
1-(Trifluoromethoxy)-2,2,3,3,4,4,5,5-octafluoropentane
CID 23233647
Sodium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate
CID 23688788
3,3,5,5,5-Pentafluoropentyl hypofluorite
CID 89840543
3,3,4,4,5-Pentafluoropentyl hypofluorite
CID 89840549
2,2,3,3,4,4,5,5-Octafluoropentyl hypoiodite
CID 148632122
Lithium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate
CID 176073945

Frequently Asked Questions

What is the IUPAC name of trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane?
The IUPAC name of trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane (CID 12653218) is trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane.
What is the SMILES notation for trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane?
The canonical SMILES for trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane is FC(F)C(F)(F)C(F)(F)C(F)(F)COS(F)(F)F.
What is the InChIKey of trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane?
The InChIKey is FZSZYPOZZVONJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F11OS/c6-2(7)4(10,11)5(12,13)3(8,9)1-17-18(14,15)16/h2H,1H2.
What are the key properties of trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane?
trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane has a molecular weight of 320.12 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-λ4-sulfane is sourced from PubChem (CID 12653218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).