3-ethoxy-2-methylpropane-1-sulfonyl fluoride

C6H13FO3S — CID 165460509

IUPAC3-ethoxy-2-methylpropane-1-sulfonyl fluoride
SMILESCCOCC(C)CS(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-3-10-4-6(2)5-11(7,8)9/h6H,3-5H2,1-2H3
InChIKeyVFRWUCOQEJXUNV-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.96
Rot. Bonds5

About 3-ethoxy-2-methylpropane-1-sulfonyl fluoride

3-ethoxy-2-methylpropane-1-sulfonyl fluoride (PubChem CID 165460509) has the molecular formula C6H13FO3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-ethoxy-2-methylpropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-ethoxy-2-methylpropane-1-sulfonyl fluoride
PubChem CID165460509
Molecular FormulaC6H13FO3S
Molecular Weight184.23 g/mol
Exact Mass184.06
IUPAC Name3-ethoxy-2-methylpropane-1-sulfonyl fluoride
SMILESCCOCC(C)CS(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-3-10-4-6(2)5-11(7,8)9/h6H,3-5H2,1-2H3
InChIKeyVFRWUCOQEJXUNV-UHFFFAOYSA-N
XLogP0.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethoxyethane-1-sulfonyl fluoride
CID 18951512
3-Methoxy-2-methylpropane-1-sulfonyl chloride
CID 64217829
4-Butoxybutane-1-sulfonyl fluoride
CID 152555386
3-Furanmethanesulfonyl fluoride, tetrahydro-
CID 50989451
2-(3-Methylbutoxy)ethane-1-sulfonyl chloride
CID 61483450
2-(2-Methylpropoxy)ethane-1-sulfonyl chloride
CID 64198189
3-Ethoxy-2-methylpropane-1-sulfonyl chloride
CID 64217247
(3-Methyloxetan-3-yl)methanesulfonyl fluoride
CID 131165678
1-Ethoxyethanesulfonyl fluoride
CID 18951511
2-(Propan-2-yloxy)ethane-1-sulfonyl fluoride
CID 22420418
3-Methoxypropane-1-sulfonyl fluoride
CID 46899852
3-Propoxypropane-1-sulfonyl fluoride
CID 88593425

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methylpropane-1-sulfonyl fluoride?
The IUPAC name of 3-ethoxy-2-methylpropane-1-sulfonyl fluoride (CID 165460509) is 3-ethoxy-2-methylpropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-ethoxy-2-methylpropane-1-sulfonyl fluoride?
The canonical SMILES for 3-ethoxy-2-methylpropane-1-sulfonyl fluoride is CCOCC(C)CS(=O)(=O)F.
What is the InChIKey of 3-ethoxy-2-methylpropane-1-sulfonyl fluoride?
The InChIKey is VFRWUCOQEJXUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S/c1-3-10-4-6(2)5-11(7,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 3-ethoxy-2-methylpropane-1-sulfonyl fluoride?
3-ethoxy-2-methylpropane-1-sulfonyl fluoride has a molecular weight of 184.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methylpropane-1-sulfonyl fluoride is sourced from PubChem (CID 165460509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).