2-methoxy-4-methylpentane-1-sulfonyl fluoride

C7H15FO3S — CID 165461337

IUPAC2-methoxy-4-methylpentane-1-sulfonyl fluoride
SMILESCOC(CC(C)C)CS(=O)(=O)F
InChIInChI=1S/C7H15FO3S/c1-6(2)4-7(11-3)5-12(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyXYTSSDDZQSNVNQ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.35
Rot. Bonds5

About 2-methoxy-4-methylpentane-1-sulfonyl fluoride

2-methoxy-4-methylpentane-1-sulfonyl fluoride (PubChem CID 165461337) has the molecular formula C7H15FO3S and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-methoxy-4-methylpentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-methoxy-4-methylpentane-1-sulfonyl fluoride
PubChem CID165461337
Molecular FormulaC7H15FO3S
Molecular Weight198.26 g/mol
Exact Mass198.07
IUPAC Name2-methoxy-4-methylpentane-1-sulfonyl fluoride
SMILESCOC(CC(C)C)CS(=O)(=O)F
InChIInChI=1S/C7H15FO3S/c1-6(2)4-7(11-3)5-12(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyXYTSSDDZQSNVNQ-UHFFFAOYSA-N
XLogP1.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyltridecane
CID 150137637
methyl (2S)-3-fluorosulfonyl-2-methylpropanoate
CID 124709340
ethane;3-methoxy-5-methylhexan-1-amine
CID 178106787
methyl (2R)-4-methyl-2-(trifluoromethylsulfonyloxy)pentanoate
CID 11747870
(2S,3S)-1-(2-methoxy-4-methylpentyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122104711
4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
CID 18359494
2,3,3-trimethylbutane-1-sulfonyl fluoride
CID 115016219
[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]-(trifluoromethylsulfonyl)azanide
CID 101404788
1-(2,2-dimethoxyethylsulfonyl)-3-methylbutane
CID 107767944
2-amino-5-bromo-3-[(2-methoxy-4-methylpentyl)sulfonylamino]benzoic acid
CID 167838616
methyl 3-methyl-1-silylbutane-1-sulfonate
CID 174876146
1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane
CID 66221977

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylpentane-1-sulfonyl fluoride?
The IUPAC name of 2-methoxy-4-methylpentane-1-sulfonyl fluoride (CID 165461337) is 2-methoxy-4-methylpentane-1-sulfonyl fluoride.
What is the SMILES notation for 2-methoxy-4-methylpentane-1-sulfonyl fluoride?
The canonical SMILES for 2-methoxy-4-methylpentane-1-sulfonyl fluoride is COC(CC(C)C)CS(=O)(=O)F.
What is the InChIKey of 2-methoxy-4-methylpentane-1-sulfonyl fluoride?
The InChIKey is XYTSSDDZQSNVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO3S/c1-6(2)4-7(11-3)5-12(8,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-4-methylpentane-1-sulfonyl fluoride?
2-methoxy-4-methylpentane-1-sulfonyl fluoride has a molecular weight of 198.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylpentane-1-sulfonyl fluoride is sourced from PubChem (CID 165461337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).