10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene

C15H25F5S — CID 162544768

IUPAC10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene
SMILESC=CCCCCCCCCSCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F5S/c1-2-3-4-5-6-7-8-9-12-21-13-10-11-14(16,17)15(18,19)20/h2H,1,3-13H2
InChIKeyJHLXQGJFUHGKMO-UHFFFAOYSA-N
MW332.42 g/mol
LogP6.61
Rot. Bonds13

About 10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene

10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene (PubChem CID 162544768) has the molecular formula C15H25F5S and a molecular weight of 332.42 g/mol. Its IUPAC name is 10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene.

Molecular Properties

Compound Name10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene
PubChem CID162544768
Molecular FormulaC15H25F5S
Molecular Weight332.42 g/mol
Exact Mass332.16
IUPAC Name10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene
SMILESC=CCCCCCCCCSCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F5S/c1-2-3-4-5-6-7-8-9-12-21-13-10-11-14(16,17)15(18,19)20/h2H,1,3-13H2
InChIKeyJHLXQGJFUHGKMO-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.42
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Perfluorooctyl)ethyl allyl sulfide
CID 2737633
11-(Trifluoromethylsulfanyl)undec-1-ene
CID 141487430
(Z)-1-(trifluoromethylsulfanyl)dec-1-ene
CID 166440967
(E)-1-(trifluoromethylsulfanyl)dodec-1-ene
CID 166441191
(E)-15,15,16,16,16-pentafluoro-1,3-bis(methylsulfanyl)hexadec-1-ene
CID 23365973
15,15,16,16,16-Pentafluoro-1,3-bis(methylsulfanyl)hexadec-1-ene
CID 54043595
6,6,7,7,7-Pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfanyl)hept-1-ene
CID 57287545
6,6,7,7,7-Pentafluoro-3-(6,6,7,7,7-pentafluorohept-1-en-3-ylsulfanyl)hept-1-ene
CID 88230083
10-Deca-1,9-dien-5-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
CID 122593493
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-enylsulfanyl)undec-2-ene
CID 140335453
10-Deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
CID 155310328
1-(4,4,5,5,5-Pentafluoropentylsulfinyl)non-1-ene
CID 175898942

Frequently Asked Questions

What is the IUPAC name of 10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene?
The IUPAC name of 10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene (CID 162544768) is 10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene.
What is the SMILES notation for 10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene?
The canonical SMILES for 10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene is C=CCCCCCCCCSCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene?
The InChIKey is JHLXQGJFUHGKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F5S/c1-2-3-4-5-6-7-8-9-12-21-13-10-11-14(16,17)15(18,19)20/h2H,1,3-13H2.
What are the key properties of 10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene?
10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene has a molecular weight of 332.42 g/mol, XLogP of 6.61, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,4,5,5,5-pentafluoropentylsulfanyl)dec-1-ene is sourced from PubChem (CID 162544768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).