2-fluoro-1-(3-methoxypropylsulfanyl)propane

C₇H₁₅FOS — CID 166968796

About 2-fluoro-1-(3-methoxypropylsulfanyl)propane

2-fluoro-1-(3-methoxypropylsulfanyl)propane (PubChem CID 166968796) has the molecular formula C₇H₁₅FOS and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-fluoro-1-(3-methoxypropylsulfanyl)propane.

Molecular Properties

• Compound Name: 2-fluoro-1-(3-methoxypropylsulfanyl)propane
• PubChem CID: 166968796
• Molecular Formula: C₇H₁₅FOS
• Molecular Weight: 166.26 g/mol
• Exact Mass: 166.08
• IUPAC Name: 2-fluoro-1-(3-methoxypropylsulfanyl)propane
• SMILES: COCCCSCC(C)F
• InChI: InChI=1S/C7H15FOS/c1-7(8)6-10-5-3-4-9-2/h7H,3-6H2,1-2H3
• InChIKey: YXMQWENSOUSTEU-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 9.23 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.26
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(3-methoxypropylsulfanyl)propane?

The IUPAC name of 2-fluoro-1-(3-methoxypropylsulfanyl)propane (CID 166968796) is 2-fluoro-1-(3-methoxypropylsulfanyl)propane.

What is the SMILES notation for 2-fluoro-1-(3-methoxypropylsulfanyl)propane?

The canonical SMILES for 2-fluoro-1-(3-methoxypropylsulfanyl)propane is COCCCSCC(C)F.

What is the InChIKey of 2-fluoro-1-(3-methoxypropylsulfanyl)propane?

The InChIKey is YXMQWENSOUSTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FOS/c1-7(8)6-10-5-3-4-9-2/h7H,3-6H2,1-2H3.

What are the key properties of 2-fluoro-1-(3-methoxypropylsulfanyl)propane?

2-fluoro-1-(3-methoxypropylsulfanyl)propane has a molecular weight of 166.26 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-1-(3-methoxypropylsulfanyl)propane is sourced from PubChem (CID 166968796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166968796 — identifiers, structure, computed properties (public domain)

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