fluoro butane-1-sulfonate

C4H9FO3S — CID 71651148

IUPACfluoro butane-1-sulfonate
SMILESCCCCS(=O)(=O)OF
InChIInChI=1S/C4H9FO3S/c1-2-3-4-9(6,7)8-5/h2-4H2,1H3
InChIKeyBBBXVLCJTNBOIV-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.02
Rot. Bonds4

About fluoro butane-1-sulfonate

fluoro butane-1-sulfonate (PubChem CID 71651148) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is fluoro butane-1-sulfonate.

Molecular Properties

Compound Namefluoro butane-1-sulfonate
PubChem CID71651148
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Namefluoro butane-1-sulfonate
SMILESCCCCS(=O)(=O)OF
InChIInChI=1S/C4H9FO3S/c1-2-3-4-9(6,7)8-5/h2-4H2,1H3
InChIKeyBBBXVLCJTNBOIV-UHFFFAOYSA-N
XLogP1.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Propyl propane thiosulfonate
CID 529388
1-Butanesulfonic acid
CID 49935
1-Butanesulfonyl chloride
CID 75430
1-Pentanesulfonic acid, sodium salt
CID 23664617
Butane-1-sulfonate
CID 3704751
1-Butanesulfonyl fluoride
CID 12615
Ethylicin
CID 229052
1-Pentanesulfonyl chloride
CID 237555
Sodium 1-butanesulfonate
CID 4096517
Butanesulfonyl chloride, 4-fluoro-
CID 9739
Butane-2-sulfonyl chloride
CID 2757336
Sodium butane-1-sulfinate
CID 23563922

Frequently Asked Questions

What is the IUPAC name of fluoro butane-1-sulfonate?
The IUPAC name of fluoro butane-1-sulfonate (CID 71651148) is fluoro butane-1-sulfonate.
What is the SMILES notation for fluoro butane-1-sulfonate?
The canonical SMILES for fluoro butane-1-sulfonate is CCCCS(=O)(=O)OF.
What is the InChIKey of fluoro butane-1-sulfonate?
The InChIKey is BBBXVLCJTNBOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-2-3-4-9(6,7)8-5/h2-4H2,1H3.
What are the key properties of fluoro butane-1-sulfonate?
fluoro butane-1-sulfonate has a molecular weight of 156.18 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro butane-1-sulfonate is sourced from PubChem (CID 71651148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).