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

C7H15FOS — CID 166968796

IUPAC2-fluoro-1-(3-methoxypropylsulfanyl)propane
SMILESCOCCCSCC(C)F
InChIInChI=1S/C7H15FOS/c1-7(8)6-10-5-3-4-9-2/h7H,3-6H2,1-2H3
InChIKeyYXMQWENSOUSTEU-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.11
Rot. Bonds6

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 Name2-fluoro-1-(3-methoxypropylsulfanyl)propane
PubChem CID166968796
Molecular FormulaC7H15FOS
Molecular Weight166.26 g/mol
Exact Mass166.08
IUPAC Name2-fluoro-1-(3-methoxypropylsulfanyl)propane
SMILESCOCCCSCC(C)F
InChIInChI=1S/C7H15FOS/c1-7(8)6-10-5-3-4-9-2/h7H,3-6H2,1-2H3
InChIKeyYXMQWENSOUSTEU-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 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).