methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate

C7H7Cl2F17O16S7 — CID 159921608

IUPACmethanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate
SMILESCS(=O)(=O)Cl.CS(=O)(=O)F.O=S(=O)(Cl)C(F)(F)F.O=S(=O)(F)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2F6O5S2.CClF3O2S.CH3ClO2S.CF4O2S.CHF3O3S.CH3FO2S/c3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;2-8(6,7)1(3,4)5;1-5(2,3)4;2*2-1(3,4)8(5,6)7;1-5(2,3)4/h;;1H3;;(H,5,6,7);1H3
InChIKeyNYLWYDGKCNOWHL-UHFFFAOYSA-N
MW965.46 g/mol
LogP3.08
Rot. Bonds2

About methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate

methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate (PubChem CID 159921608) has the molecular formula C7H7Cl2F17O16S7 and a molecular weight of 965.46 g/mol. Its IUPAC name is methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate.

Molecular Properties

Compound Namemethanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate
PubChem CID159921608
Molecular FormulaC7H7Cl2F17O16S7
Molecular Weight965.46 g/mol
Exact Mass963.69
IUPAC Namemethanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate
SMILESCS(=O)(=O)Cl.CS(=O)(=O)F.O=S(=O)(Cl)C(F)(F)F.O=S(=O)(F)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2F6O5S2.CClF3O2S.CH3ClO2S.CF4O2S.CHF3O3S.CH3FO2S/c3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;2-8(6,7)1(3,4)5;1-5(2,3)4;2*2-1(3,4)8(5,6)7;1-5(2,3)4/h;;1H3;;(H,5,6,7);1H3
InChIKeyNYLWYDGKCNOWHL-UHFFFAOYSA-N
XLogP3.08
TPSA268.44 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

methanesulfonyl chloride;trifluoromethanesulfonic acid
CID 174263970
(methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 23649989
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CID 87630754
trans-(1R,2R)-2-methylcyclohexan-1-ol;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 91351531
cobalt;bis(cyclopentane);hexakis(diethoxy(oxo)phosphanium);ruthenium;trifluoromethanesulfonic acid;tetrahydrate
CID 23304795
benzene;trifluoromethanesulfonic acid
CID 87157881
iodomethane;trifluoromethanesulfonic acid
CID 87959782
methanethiol;trifluoromethanesulfonic acid
CID 171923949
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
platinum;trifluoromethanesulfonic acid
CID 87655055
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674

Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate?
The IUPAC name of methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate (CID 159921608) is methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate.
What is the SMILES notation for methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate?
The canonical SMILES for methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate is CS(=O)(=O)Cl.CS(=O)(=O)F.O=S(=O)(Cl)C(F)(F)F.O=S(=O)(F)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate?
The InChIKey is NYLWYDGKCNOWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F6O5S2.CClF3O2S.CH3ClO2S.CF4O2S.CHF3O3S.CH3FO2S/c3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;2-8(6,7)1(3,4)5;1-5(2,3)4;2*2-1(3,4)8(5,6)7;1-5(2,3)4/h;;1H3;;(H,5,6,7);1H3.
What are the key properties of methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate?
methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate has a molecular weight of 965.46 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonyl chloride;methanesulfonyl fluoride;trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride;trifluoromethanesulfonyl fluoride;trifluoromethylsulfonyl trifluoromethanesulfonate is sourced from PubChem (CID 159921608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).