propyl 2-(3-fluoropropylsulfanyl)acetate

C8H15FO2S — CID 123283714

IUPACpropyl 2-(3-fluoropropylsulfanyl)acetate
SMILESCCCOC(=O)CSCCCF
InChIInChI=1S/C8H15FO2S/c1-2-5-11-8(10)7-12-6-3-4-9/h2-7H2,1H3
InChIKeyLFNGSNZGPDWNKN-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.03
Rot. Bonds7

About propyl 2-(3-fluoropropylsulfanyl)acetate

propyl 2-(3-fluoropropylsulfanyl)acetate (PubChem CID 123283714) has the molecular formula C8H15FO2S and a molecular weight of 194.27 g/mol. Its IUPAC name is propyl 2-(3-fluoropropylsulfanyl)acetate.

Molecular Properties

Compound Namepropyl 2-(3-fluoropropylsulfanyl)acetate
PubChem CID123283714
Molecular FormulaC8H15FO2S
Molecular Weight194.27 g/mol
Exact Mass194.08
IUPAC Namepropyl 2-(3-fluoropropylsulfanyl)acetate
SMILESCCCOC(=O)CSCCCF
InChIInChI=1S/C8H15FO2S/c1-2-5-11-8(10)7-12-6-3-4-9/h2-7H2,1H3
InChIKeyLFNGSNZGPDWNKN-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-fluoropropylsulfanyl)acetate?
The IUPAC name of propyl 2-(3-fluoropropylsulfanyl)acetate (CID 123283714) is propyl 2-(3-fluoropropylsulfanyl)acetate.
What is the SMILES notation for propyl 2-(3-fluoropropylsulfanyl)acetate?
The canonical SMILES for propyl 2-(3-fluoropropylsulfanyl)acetate is CCCOC(=O)CSCCCF.
What is the InChIKey of propyl 2-(3-fluoropropylsulfanyl)acetate?
The InChIKey is LFNGSNZGPDWNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2S/c1-2-5-11-8(10)7-12-6-3-4-9/h2-7H2,1H3.
What are the key properties of propyl 2-(3-fluoropropylsulfanyl)acetate?
propyl 2-(3-fluoropropylsulfanyl)acetate has a molecular weight of 194.27 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3-fluoropropylsulfanyl)acetate is sourced from PubChem (CID 123283714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).