1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene

C14H23F5OS — CID 175898942

IUPAC1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene
SMILESCCCCCCCC=CS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H23F5OS/c1-2-3-4-5-6-7-8-11-21(20)12-9-10-13(15,16)14(17,18)19/h8,11H,2-7,9-10,12H2,1H3
InChIKeyVDYJBVHHSWKRNK-UHFFFAOYSA-N
MW334.39 g/mol
LogP5.59
Rot. Bonds11

About 1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene

1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene (PubChem CID 175898942) has the molecular formula C14H23F5OS and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene.

Molecular Properties

Compound Name1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene
PubChem CID175898942
Molecular FormulaC14H23F5OS
Molecular Weight334.39 g/mol
Exact Mass334.14
IUPAC Name1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene
SMILESCCCCCCCC=CS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H23F5OS/c1-2-3-4-5-6-7-8-11-21(20)12-9-10-13(15,16)14(17,18)19/h8,11H,2-7,9-10,12H2,1H3
InChIKeyVDYJBVHHSWKRNK-UHFFFAOYSA-N
XLogP5.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.39
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene?
The IUPAC name of 1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene (CID 175898942) is 1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene.
What is the SMILES notation for 1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene?
The canonical SMILES for 1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene is CCCCCCCC=CS(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene?
The InChIKey is VDYJBVHHSWKRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F5OS/c1-2-3-4-5-6-7-8-11-21(20)12-9-10-13(15,16)14(17,18)19/h8,11H,2-7,9-10,12H2,1H3.
What are the key properties of 1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene?
1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene has a molecular weight of 334.39 g/mol, XLogP of 5.59, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,5,5,5-pentafluoropentylsulfinyl)non-1-ene is sourced from PubChem (CID 175898942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).