2,3-dimethylbutane-1-sulfonyl fluoride

C6H13FO2S — CID 115013427

IUPAC2,3-dimethylbutane-1-sulfonyl fluoride
SMILESCC(C)C(C)CS(=O)(=O)F
InChIInChI=1S/C6H13FO2S/c1-5(2)6(3)4-10(7,8)9/h5-6H,4H2,1-3H3
InChIKeyFJZBLUNCFYIVGY-UHFFFAOYSA-N
MW168.23 g/mol
LogP1.58
Rot. Bonds3

About 2,3-dimethylbutane-1-sulfonyl fluoride

2,3-dimethylbutane-1-sulfonyl fluoride (PubChem CID 115013427) has the molecular formula C6H13FO2S and a molecular weight of 168.23 g/mol. Its IUPAC name is 2,3-dimethylbutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2,3-dimethylbutane-1-sulfonyl fluoride
PubChem CID115013427
Molecular FormulaC6H13FO2S
Molecular Weight168.23 g/mol
Exact Mass168.06
IUPAC Name2,3-dimethylbutane-1-sulfonyl fluoride
SMILESCC(C)C(C)CS(=O)(=O)F
InChIInChI=1S/C6H13FO2S/c1-5(2)6(3)4-10(7,8)9/h5-6H,4H2,1-3H3
InChIKeyFJZBLUNCFYIVGY-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-1-sulfonyl fluoride?
The IUPAC name of 2,3-dimethylbutane-1-sulfonyl fluoride (CID 115013427) is 2,3-dimethylbutane-1-sulfonyl fluoride.
What is the SMILES notation for 2,3-dimethylbutane-1-sulfonyl fluoride?
The canonical SMILES for 2,3-dimethylbutane-1-sulfonyl fluoride is CC(C)C(C)CS(=O)(=O)F.
What is the InChIKey of 2,3-dimethylbutane-1-sulfonyl fluoride?
The InChIKey is FJZBLUNCFYIVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO2S/c1-5(2)6(3)4-10(7,8)9/h5-6H,4H2,1-3H3.
What are the key properties of 2,3-dimethylbutane-1-sulfonyl fluoride?
2,3-dimethylbutane-1-sulfonyl fluoride has a molecular weight of 168.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-1-sulfonyl fluoride is sourced from PubChem (CID 115013427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).