1,1,1,2,2-pentafluoro-3-propylsulfanylpropane

C6H9F5S — CID 54086182

IUPAC1,1,1,2,2-pentafluoro-3-propylsulfanylpropane
SMILESCCCSCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5S/c1-2-3-12-4-5(7,8)6(9,10)11/h2-4H2,1H3
InChIKeyHPXFVKKNXUYFQB-UHFFFAOYSA-N
MW208.19 g/mol
LogP3.33
Rot. Bonds4

About 1,1,1,2,2-pentafluoro-3-propylsulfanylpropane

1,1,1,2,2-pentafluoro-3-propylsulfanylpropane (PubChem CID 54086182) has the molecular formula C6H9F5S and a molecular weight of 208.19 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-propylsulfanylpropane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-propylsulfanylpropane
PubChem CID54086182
Molecular FormulaC6H9F5S
Molecular Weight208.19 g/mol
Exact Mass208.03
IUPAC Name1,1,1,2,2-pentafluoro-3-propylsulfanylpropane
SMILESCCCSCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5S/c1-2-3-12-4-5(7,8)6(9,10)11/h2-4H2,1H3
InChIKeyHPXFVKKNXUYFQB-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 53.33
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 1,1,1,2,2-pentafluoro-3-propylsulfanylpropane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-propylsulfanylpropane (CID 54086182) is 1,1,1,2,2-pentafluoro-3-propylsulfanylpropane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-propylsulfanylpropane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-propylsulfanylpropane is CCCSCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3-propylsulfanylpropane?
The InChIKey is HPXFVKKNXUYFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5S/c1-2-3-12-4-5(7,8)6(9,10)11/h2-4H2,1H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3-propylsulfanylpropane?
1,1,1,2,2-pentafluoro-3-propylsulfanylpropane has a molecular weight of 208.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3-propylsulfanylpropane is sourced from PubChem (CID 54086182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).