2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride

C6H13FO3S — CID 115016686

IUPAC2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride
SMILESCC(C)(C)C(O)CS(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-6(2,3)5(8)4-11(7,9)10/h5,8H,4H2,1-3H3
InChIKeyUTQYIKVACHQNAW-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.69
Rot. Bonds2

About 2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride

2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride (PubChem CID 115016686) has the molecular formula C6H13FO3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride
PubChem CID115016686
Molecular FormulaC6H13FO3S
Molecular Weight184.23 g/mol
Exact Mass184.06
IUPAC Name2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride
SMILESCC(C)(C)C(O)CS(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-6(2,3)5(8)4-11(7,9)10/h5,8H,4H2,1-3H3
InChIKeyUTQYIKVACHQNAW-UHFFFAOYSA-N
XLogP0.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride?
The IUPAC name of 2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride (CID 115016686) is 2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride.
What is the SMILES notation for 2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride?
The canonical SMILES for 2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride is CC(C)(C)C(O)CS(=O)(=O)F.
What is the InChIKey of 2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride?
The InChIKey is UTQYIKVACHQNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S/c1-6(2,3)5(8)4-11(7,9)10/h5,8H,4H2,1-3H3.
What are the key properties of 2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride?
2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride has a molecular weight of 184.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3-dimethylbutane-1-sulfonyl fluoride is sourced from PubChem (CID 115016686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).