methyl 10,10,10-trifluorodecane-1-sulfonate

C11H21F3O3S — CID 150831281

IUPACmethyl 10,10,10-trifluorodecane-1-sulfonate
SMILESCOS(=O)(=O)CCCCCCCCCC(F)(F)F
InChIInChI=1S/C11H21F3O3S/c1-17-18(15,16)10-8-6-4-2-3-5-7-9-11(12,13)14/h2-10H2,1H3
InChIKeyKLZZTYPNUCPAII-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.65
Rot. Bonds10

About methyl 10,10,10-trifluorodecane-1-sulfonate

methyl 10,10,10-trifluorodecane-1-sulfonate (PubChem CID 150831281) has the molecular formula C11H21F3O3S and a molecular weight of 290.35 g/mol. Its IUPAC name is methyl 10,10,10-trifluorodecane-1-sulfonate.

Molecular Properties

Compound Namemethyl 10,10,10-trifluorodecane-1-sulfonate
PubChem CID150831281
Molecular FormulaC11H21F3O3S
Molecular Weight290.35 g/mol
Exact Mass290.12
IUPAC Namemethyl 10,10,10-trifluorodecane-1-sulfonate
SMILESCOS(=O)(=O)CCCCCCCCCC(F)(F)F
InChIInChI=1S/C11H21F3O3S/c1-17-18(15,16)10-8-6-4-2-3-5-7-9-11(12,13)14/h2-10H2,1H3
InChIKeyKLZZTYPNUCPAII-UHFFFAOYSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.65
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

prop-2-enyl 11,11,11-trifluoroundecane-1-sulfonate
CID 175529510
7,7,7-trifluoroheptane-1-sulfonic acid
CID 134206344
methyl 3-methoxypropane-1-sulfonate
CID 59109575
azane;fluoro 4,4,4-trifluorobutane-1-sulfonate
CID 175312917
azane;7,7,7-trifluoroheptane-1-sulfonic acid
CID 171928985
azane;9,9,9-trifluorononane-1-sulfonic acid
CID 171929032
methyl 20-oxoicosane-1-sulfonate
CID 22890276
1,1,1-trifluoro-4-methylsulfonylbutane
CID 89466029
trimethoxy(1,1,8,8,8-pentafluorooctyl)silane
CID 141376252
1,1,1-trifluoro-4-(4,4,4-trifluorobutylsulfonyl)butane
CID 87090137
1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine
CID 171922810
1,1,2,2,11,11,11-heptafluoroundecane-1-sulfonate
CID 154492518

Frequently Asked Questions

What is the IUPAC name of methyl 10,10,10-trifluorodecane-1-sulfonate?
The IUPAC name of methyl 10,10,10-trifluorodecane-1-sulfonate (CID 150831281) is methyl 10,10,10-trifluorodecane-1-sulfonate.
What is the SMILES notation for methyl 10,10,10-trifluorodecane-1-sulfonate?
The canonical SMILES for methyl 10,10,10-trifluorodecane-1-sulfonate is COS(=O)(=O)CCCCCCCCCC(F)(F)F.
What is the InChIKey of methyl 10,10,10-trifluorodecane-1-sulfonate?
The InChIKey is KLZZTYPNUCPAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3S/c1-17-18(15,16)10-8-6-4-2-3-5-7-9-11(12,13)14/h2-10H2,1H3.
What are the key properties of methyl 10,10,10-trifluorodecane-1-sulfonate?
methyl 10,10,10-trifluorodecane-1-sulfonate has a molecular weight of 290.35 g/mol, XLogP of 3.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10,10,10-trifluorodecane-1-sulfonate is sourced from PubChem (CID 150831281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).