2-fluorodecyl methanesulfonate

C11H23FO3S — CID 18945857

IUPAC2-fluorodecyl methanesulfonate
SMILESCCCCCCCCC(F)COS(C)(=O)=O
InChIInChI=1S/C11H23FO3S/c1-3-4-5-6-7-8-9-11(12)10-15-16(2,13)14/h11H,3-10H2,1-2H3
InChIKeySWFBATICFJIXPH-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.05
Rot. Bonds10

About 2-fluorodecyl methanesulfonate

2-fluorodecyl methanesulfonate (PubChem CID 18945857) has the molecular formula C11H23FO3S and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-fluorodecyl methanesulfonate.

Molecular Properties

Compound Name2-fluorodecyl methanesulfonate
PubChem CID18945857
Molecular FormulaC11H23FO3S
Molecular Weight254.37 g/mol
Exact Mass254.14
IUPAC Name2-fluorodecyl methanesulfonate
SMILESCCCCCCCCC(F)COS(C)(=O)=O
InChIInChI=1S/C11H23FO3S/c1-3-4-5-6-7-8-9-11(12)10-15-16(2,13)14/h11H,3-10H2,1-2H3
InChIKeySWFBATICFJIXPH-UHFFFAOYSA-N
XLogP3.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-octyldodecyl methanesulfonate
CID 19905964
2-fluorobutyl methanesulfonate
CID 139711302
2-fluoro-1-(2-fluorooctoxy)octane
CID 56992281
[(7R)-7-methyloctadecyl] methanesulfonate
CID 129382798
3-fluoroundecoxy methanesulfonate
CID 19105699
3-heptylhexadecyl methanesulfonate
CID 20578420
4-fluorotridecylsulfonyl 4-fluorotridecane-1-sulfonate
CID 88671655
heptatriacontan-19-yl methanesulfonate
CID 59202246
nonacosan-11-yl methanesulfonate
CID 162497235
(4R)-4-fluorodecane
CID 88903478
[(3R)-4-methylsulfonyloxy-3-undecylsulfonylbutyl] methanesulfonate
CID 98520734
2-fluoroheptyl acetate
CID 24973893

Frequently Asked Questions

What is the IUPAC name of 2-fluorodecyl methanesulfonate?
The IUPAC name of 2-fluorodecyl methanesulfonate (CID 18945857) is 2-fluorodecyl methanesulfonate.
What is the SMILES notation for 2-fluorodecyl methanesulfonate?
The canonical SMILES for 2-fluorodecyl methanesulfonate is CCCCCCCCC(F)COS(C)(=O)=O.
What is the InChIKey of 2-fluorodecyl methanesulfonate?
The InChIKey is SWFBATICFJIXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FO3S/c1-3-4-5-6-7-8-9-11(12)10-15-16(2,13)14/h11H,3-10H2,1-2H3.
What are the key properties of 2-fluorodecyl methanesulfonate?
2-fluorodecyl methanesulfonate has a molecular weight of 254.37 g/mol, XLogP of 3.05, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorodecyl methanesulfonate is sourced from PubChem (CID 18945857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).