2-fluorosulfinyloxybutane

C4H9FO2S — CID 119095644

IUPAC2-fluorosulfinyloxybutane
SMILESCCC(C)OS(=O)F
InChIInChI=1S/C4H9FO2S/c1-3-4(2)7-8(5)6/h4H,3H2,1-2H3
InChIKeyTURLEYPKXBSOSZ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.35
Rot. Bonds3

About 2-fluorosulfinyloxybutane

2-fluorosulfinyloxybutane (PubChem CID 119095644) has the molecular formula C4H9FO2S and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-fluorosulfinyloxybutane.

Molecular Properties

Compound Name2-fluorosulfinyloxybutane
PubChem CID119095644
Molecular FormulaC4H9FO2S
Molecular Weight140.18 g/mol
Exact Mass140.03
IUPAC Name2-fluorosulfinyloxybutane
SMILESCCC(C)OS(=O)F
InChIInChI=1S/C4H9FO2S/c1-3-4(2)7-8(5)6/h4H,3H2,1-2H3
InChIKeyTURLEYPKXBSOSZ-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluorosulfinyloxybutane?
The IUPAC name of 2-fluorosulfinyloxybutane (CID 119095644) is 2-fluorosulfinyloxybutane.
What is the SMILES notation for 2-fluorosulfinyloxybutane?
The canonical SMILES for 2-fluorosulfinyloxybutane is CCC(C)OS(=O)F.
What is the InChIKey of 2-fluorosulfinyloxybutane?
The InChIKey is TURLEYPKXBSOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2S/c1-3-4(2)7-8(5)6/h4H,3H2,1-2H3.
What are the key properties of 2-fluorosulfinyloxybutane?
2-fluorosulfinyloxybutane has a molecular weight of 140.18 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorosulfinyloxybutane is sourced from PubChem (CID 119095644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).