3-methoxy-3-methylbutane-1-sulfonyl fluoride

C6H13FO3S — CID 122236095

IUPAC3-methoxy-3-methylbutane-1-sulfonyl fluoride
SMILESCOC(C)(C)CCS(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-6(2,10-3)4-5-11(7,8)9/h4-5H2,1-3H3
InChIKeyAZXJXRGNKVTEPA-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.10
Rot. Bonds4

About 3-methoxy-3-methylbutane-1-sulfonyl fluoride

3-methoxy-3-methylbutane-1-sulfonyl fluoride (PubChem CID 122236095) has the molecular formula C6H13FO3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-methoxy-3-methylbutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-methoxy-3-methylbutane-1-sulfonyl fluoride
PubChem CID122236095
Molecular FormulaC6H13FO3S
Molecular Weight184.23 g/mol
Exact Mass184.06
IUPAC Name3-methoxy-3-methylbutane-1-sulfonyl fluoride
SMILESCOC(C)(C)CCS(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-6(2,10-3)4-5-11(7,8)9/h4-5H2,1-3H3
InChIKeyAZXJXRGNKVTEPA-UHFFFAOYSA-N
XLogP1.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-3-methylbutane-1-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylbutane-1-sulfonyl fluoride?
The IUPAC name of 3-methoxy-3-methylbutane-1-sulfonyl fluoride (CID 122236095) is 3-methoxy-3-methylbutane-1-sulfonyl fluoride.
What is the SMILES notation for 3-methoxy-3-methylbutane-1-sulfonyl fluoride?
The canonical SMILES for 3-methoxy-3-methylbutane-1-sulfonyl fluoride is COC(C)(C)CCS(=O)(=O)F.
What is the InChIKey of 3-methoxy-3-methylbutane-1-sulfonyl fluoride?
The InChIKey is AZXJXRGNKVTEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S/c1-6(2,10-3)4-5-11(7,8)9/h4-5H2,1-3H3.
What are the key properties of 3-methoxy-3-methylbutane-1-sulfonyl fluoride?
3-methoxy-3-methylbutane-1-sulfonyl fluoride has a molecular weight of 184.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylbutane-1-sulfonyl fluoride is sourced from PubChem (CID 122236095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).