pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane

C11H21F5S — CID 59366532

IUPACpentafluoro-[(E)-undec-1-enyl]-λ6-sulfane
SMILESCCCCCCCCC/C=C/S(F)(F)(F)(F)F
InChIInChI=1S/C11H21F5S/c1-2-3-4-5-6-7-8-9-10-11-17(12,13,14,15)16/h10-11H,2-9H2,1H3/b11-10+
InChIKeyISTSMWLYEWXTJT-ZHACJKMWSA-N
MW280.35 g/mol
LogP6.94
Rot. Bonds9

About pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane

pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane (PubChem CID 59366532) has the molecular formula C11H21F5S and a molecular weight of 280.35 g/mol. Its IUPAC name is pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[(E)-undec-1-enyl]-λ6-sulfane
PubChem CID59366532
Molecular FormulaC11H21F5S
Molecular Weight280.35 g/mol
Exact Mass280.13
IUPAC Namepentafluoro-[(E)-undec-1-enyl]-λ6-sulfane
SMILESCCCCCCCCC/C=C/S(F)(F)(F)(F)F
InChIInChI=1S/C11H21F5S/c1-2-3-4-5-6-7-8-9-10-11-17(12,13,14,15)16/h10-11H,2-9H2,1H3/b11-10+
InChIKeyISTSMWLYEWXTJT-ZHACJKMWSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.35
LogP ≤ 56.94
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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Frequently Asked Questions

What is the IUPAC name of pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane (CID 59366532) is pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane is CCCCCCCCC/C=C/S(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane?
The InChIKey is ISTSMWLYEWXTJT-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H21F5S/c1-2-3-4-5-6-7-8-9-10-11-17(12,13,14,15)16/h10-11H,2-9H2,1H3/b11-10+.
What are the key properties of pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane?
pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane has a molecular weight of 280.35 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[(E)-undec-1-enyl]-λ6-sulfane is sourced from PubChem (CID 59366532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).