5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane

C8H12ClF5S — CID 23497076

IUPAC5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane
SMILESFC(F)(F)C(F)(F)CCCSCCCCl
InChIInChI=1S/C8H12ClF5S/c9-4-2-6-15-5-1-3-7(10,11)8(12,13)14/h1-6H2
InChIKeyOOUZCKKDCRCJBR-UHFFFAOYSA-N
MW270.69 g/mol
LogP4.33
Rot. Bonds7

About 5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane

5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane (PubChem CID 23497076) has the molecular formula C8H12ClF5S and a molecular weight of 270.69 g/mol. Its IUPAC name is 5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane.

Molecular Properties

Compound Name5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane
PubChem CID23497076
Molecular FormulaC8H12ClF5S
Molecular Weight270.69 g/mol
Exact Mass270.03
IUPAC Name5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane
SMILESFC(F)(F)C(F)(F)CCCSCCCCl
InChIInChI=1S/C8H12ClF5S/c9-4-2-6-15-5-1-3-7(10,11)8(12,13)14/h1-6H2
InChIKeyOOUZCKKDCRCJBR-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane?
The IUPAC name of 5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane (CID 23497076) is 5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane.
What is the SMILES notation for 5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane?
The canonical SMILES for 5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane is FC(F)(F)C(F)(F)CCCSCCCCl.
What is the InChIKey of 5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane?
The InChIKey is OOUZCKKDCRCJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF5S/c9-4-2-6-15-5-1-3-7(10,11)8(12,13)14/h1-6H2.
What are the key properties of 5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane?
5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane has a molecular weight of 270.69 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane is sourced from PubChem (CID 23497076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).