pentafluoro(oct-1-en-3-yl)-λ6-sulfane

C8H15F5S — CID 58281549

IUPACpentafluoro(oct-1-en-3-yl)-λ6-sulfane
SMILESC=CC(CCCCC)S(F)(F)(F)(F)F
InChIInChI=1S/C8H15F5S/c1-3-5-6-7-8(4-2)14(9,10,11,12)13/h4,8H,2-3,5-7H2,1H3
InChIKeyPKSXJFWLNQTMKY-UHFFFAOYSA-N
MW238.26 g/mol
LogP5.42
Rot. Bonds6

About pentafluoro(oct-1-en-3-yl)-λ6-sulfane

pentafluoro(oct-1-en-3-yl)-λ6-sulfane (PubChem CID 58281549) has the molecular formula C8H15F5S and a molecular weight of 238.26 g/mol. Its IUPAC name is pentafluoro(oct-1-en-3-yl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(oct-1-en-3-yl)-λ6-sulfane
PubChem CID58281549
Molecular FormulaC8H15F5S
Molecular Weight238.26 g/mol
Exact Mass238.08
IUPAC Namepentafluoro(oct-1-en-3-yl)-λ6-sulfane
SMILESC=CC(CCCCC)S(F)(F)(F)(F)F
InChIInChI=1S/C8H15F5S/c1-3-5-6-7-8(4-2)14(9,10,11,12)13/h4,8H,2-3,5-7H2,1H3
InChIKeyPKSXJFWLNQTMKY-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.26
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentafluoro(oct-1-en-3-yl)-λ6-sulfane?
The IUPAC name of pentafluoro(oct-1-en-3-yl)-λ6-sulfane (CID 58281549) is pentafluoro(oct-1-en-3-yl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(oct-1-en-3-yl)-λ6-sulfane?
The canonical SMILES for pentafluoro(oct-1-en-3-yl)-λ6-sulfane is C=CC(CCCCC)S(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro(oct-1-en-3-yl)-λ6-sulfane?
The InChIKey is PKSXJFWLNQTMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F5S/c1-3-5-6-7-8(4-2)14(9,10,11,12)13/h4,8H,2-3,5-7H2,1H3.
What are the key properties of pentafluoro(oct-1-en-3-yl)-λ6-sulfane?
pentafluoro(oct-1-en-3-yl)-λ6-sulfane has a molecular weight of 238.26 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(oct-1-en-3-yl)-λ6-sulfane is sourced from PubChem (CID 58281549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).