trifluoro(octyl)-λ4-sulfane

C8H17F3S — CID 19024890

IUPACtrifluoro(octyl)-λ4-sulfane
SMILESCCCCCCCCS(F)(F)F
InChIInChI=1S/C8H17F3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
InChIKeyZPTYKZSDKZXQGM-UHFFFAOYSA-N
MW202.28 g/mol
LogP4.80
Rot. Bonds7

About trifluoro(octyl)-λ4-sulfane

trifluoro(octyl)-λ4-sulfane (PubChem CID 19024890) has the molecular formula C8H17F3S and a molecular weight of 202.28 g/mol. Its IUPAC name is trifluoro(octyl)-λ4-sulfane.

Molecular Properties

Compound Nametrifluoro(octyl)-λ4-sulfane
PubChem CID19024890
Molecular FormulaC8H17F3S
Molecular Weight202.28 g/mol
Exact Mass202.10
IUPAC Nametrifluoro(octyl)-λ4-sulfane
SMILESCCCCCCCCS(F)(F)F
InChIInChI=1S/C8H17F3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
InChIKeyZPTYKZSDKZXQGM-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trihexyl(methyl)-λ4-sulfane
CID 138739733
dichloro-hexyl-methyl-λ4-sulfane
CID 142899698
heptyl(trimethyl)-λ4-sulfane
CID 155014090
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
hexadecane;pentadecane
CID 159687875

Frequently Asked Questions

What is the IUPAC name of trifluoro(octyl)-λ4-sulfane?
The IUPAC name of trifluoro(octyl)-λ4-sulfane (CID 19024890) is trifluoro(octyl)-λ4-sulfane.
What is the SMILES notation for trifluoro(octyl)-λ4-sulfane?
The canonical SMILES for trifluoro(octyl)-λ4-sulfane is CCCCCCCCS(F)(F)F.
What is the InChIKey of trifluoro(octyl)-λ4-sulfane?
The InChIKey is ZPTYKZSDKZXQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3.
What are the key properties of trifluoro(octyl)-λ4-sulfane?
trifluoro(octyl)-λ4-sulfane has a molecular weight of 202.28 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(octyl)-λ4-sulfane is sourced from PubChem (CID 19024890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).