fluoro butane-1-sulfinate

C4H9FO2S — CID 86758562

IUPACfluoro butane-1-sulfinate
SMILESCCCCS(=O)OF
InChIInChI=1S/C4H9FO2S/c1-2-3-4-8(6)7-5/h2-4H2,1H3
InChIKeyAAFRWOZIOHGYRT-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.35
Rot. Bonds4

About fluoro butane-1-sulfinate

fluoro butane-1-sulfinate (PubChem CID 86758562) has the molecular formula C4H9FO2S and a molecular weight of 140.18 g/mol. Its IUPAC name is fluoro butane-1-sulfinate.

Molecular Properties

Compound Namefluoro butane-1-sulfinate
PubChem CID86758562
Molecular FormulaC4H9FO2S
Molecular Weight140.18 g/mol
Exact Mass140.03
IUPAC Namefluoro butane-1-sulfinate
SMILESCCCCS(=O)OF
InChIInChI=1S/C4H9FO2S/c1-2-3-4-8(6)7-5/h2-4H2,1H3
InChIKeyAAFRWOZIOHGYRT-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

azane;fluoro propane-1-sulfinate
CID 174229843
ethyl (R)-butane-1-sulfinate
CID 175883335
ethyl tridecane-1-sulfinate
CID 174876720
1-propylsulfinylbutane
CID 564183
hexane;oxomercury
CID 174814256
methyl 3-fluoropropane-1-sulfinate
CID 89243180
1-heptadecylsulfinylheptadecane
CID 54059826
1-(2-fluoroethylsulfinyl)pentane
CID 56992126
1-methylsulfinylicosane
CID 53482744
1-methylsulfinylpentadecane
CID 15553502
1,2,3-trihydroxypropyl henicosane-1-sulfinate
CID 153301226
1-butylsulfinylpropan-2-one
CID 64640941

Frequently Asked Questions

What is the IUPAC name of fluoro butane-1-sulfinate?
The IUPAC name of fluoro butane-1-sulfinate (CID 86758562) is fluoro butane-1-sulfinate.
What is the SMILES notation for fluoro butane-1-sulfinate?
The canonical SMILES for fluoro butane-1-sulfinate is CCCCS(=O)OF.
What is the InChIKey of fluoro butane-1-sulfinate?
The InChIKey is AAFRWOZIOHGYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2S/c1-2-3-4-8(6)7-5/h2-4H2,1H3.
What are the key properties of fluoro butane-1-sulfinate?
fluoro butane-1-sulfinate has a molecular weight of 140.18 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro butane-1-sulfinate is sourced from PubChem (CID 86758562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).