6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane

C9H14ClF5S — CID 88547163

IUPAC6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane
SMILESFC(F)(F)C(F)(F)CCCCSCCCCl
InChIInChI=1S/C9H14ClF5S/c10-5-3-7-16-6-2-1-4-8(11,12)9(13,14)15/h1-7H2
InChIKeyFCRZXSXNUXBLQO-UHFFFAOYSA-N
MW284.72 g/mol
LogP4.72
Rot. Bonds8

About 6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane

6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane (PubChem CID 88547163) has the molecular formula C9H14ClF5S and a molecular weight of 284.72 g/mol. Its IUPAC name is 6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane.

Molecular Properties

Compound Name6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane
PubChem CID88547163
Molecular FormulaC9H14ClF5S
Molecular Weight284.72 g/mol
Exact Mass284.04
IUPAC Name6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane
SMILESFC(F)(F)C(F)(F)CCCCSCCCCl
InChIInChI=1S/C9H14ClF5S/c10-5-3-7-16-6-2-1-4-8(11,12)9(13,14)15/h1-7H2
InChIKeyFCRZXSXNUXBLQO-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 54.72
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 6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane?
The IUPAC name of 6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane (CID 88547163) is 6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane.
What is the SMILES notation for 6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane?
The canonical SMILES for 6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane is FC(F)(F)C(F)(F)CCCCSCCCCl.
What is the InChIKey of 6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane?
The InChIKey is FCRZXSXNUXBLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF5S/c10-5-3-7-16-6-2-1-4-8(11,12)9(13,14)15/h1-7H2.
What are the key properties of 6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane?
6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane has a molecular weight of 284.72 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloropropylsulfanyl)-1,1,1,2,2-pentafluorohexane is sourced from PubChem (CID 88547163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).