2-fluorobutane-2-sulfonyl fluoride

C4H8F2O2S — CID 22952367

IUPAC2-fluorobutane-2-sulfonyl fluoride
SMILESCCC(C)(F)S(=O)(=O)F
InChIInChI=1S/C4H8F2O2S/c1-3-4(2,5)9(6,7)8/h3H2,1-2H3
InChIKeyCKZDIJFJKFAYNK-UHFFFAOYSA-N
MW158.17 g/mol
LogP1.38
Rot. Bonds2

About 2-fluorobutane-2-sulfonyl fluoride

2-fluorobutane-2-sulfonyl fluoride (PubChem CID 22952367) has the molecular formula C4H8F2O2S and a molecular weight of 158.17 g/mol. Its IUPAC name is 2-fluorobutane-2-sulfonyl fluoride.

Molecular Properties

Compound Name2-fluorobutane-2-sulfonyl fluoride
PubChem CID22952367
Molecular FormulaC4H8F2O2S
Molecular Weight158.17 g/mol
Exact Mass158.02
IUPAC Name2-fluorobutane-2-sulfonyl fluoride
SMILESCCC(C)(F)S(=O)(=O)F
InChIInChI=1S/C4H8F2O2S/c1-3-4(2,5)9(6,7)8/h3H2,1-2H3
InChIKeyCKZDIJFJKFAYNK-UHFFFAOYSA-N
XLogP1.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobutane-2-sulfonyl fluoride?
The IUPAC name of 2-fluorobutane-2-sulfonyl fluoride (CID 22952367) is 2-fluorobutane-2-sulfonyl fluoride.
What is the SMILES notation for 2-fluorobutane-2-sulfonyl fluoride?
The canonical SMILES for 2-fluorobutane-2-sulfonyl fluoride is CCC(C)(F)S(=O)(=O)F.
What is the InChIKey of 2-fluorobutane-2-sulfonyl fluoride?
The InChIKey is CKZDIJFJKFAYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O2S/c1-3-4(2,5)9(6,7)8/h3H2,1-2H3.
What are the key properties of 2-fluorobutane-2-sulfonyl fluoride?
2-fluorobutane-2-sulfonyl fluoride has a molecular weight of 158.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutane-2-sulfonyl fluoride is sourced from PubChem (CID 22952367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).