methane;trifluoromethanesulfinate

C2H4F3O2S- — CID 90113037

IUPACmethane;trifluoromethanesulfinate
SMILESC.O=S([O-])C(F)(F)F
InChIInChI=1S/CHF3O2S.CH4/c2-1(3,4)7(5)6;/h(H,5,6);1H4/p-1
InChIKeySXCVQKMMEOFYHW-UHFFFAOYSA-M
MW149.11 g/mol
LogP1.02
Rot. Bonds

About methane;trifluoromethanesulfinate

methane;trifluoromethanesulfinate (PubChem CID 90113037) has the molecular formula C2H4F3O2S- and a molecular weight of 149.11 g/mol. Its IUPAC name is methane;trifluoromethanesulfinate.

Molecular Properties

Compound Namemethane;trifluoromethanesulfinate
PubChem CID90113037
Molecular FormulaC2H4F3O2S-
Molecular Weight149.11 g/mol
Exact Mass148.99
IUPAC Namemethane;trifluoromethanesulfinate
SMILESC.O=S([O-])C(F)(F)F
InChIInChI=1S/CHF3O2S.CH4/c2-1(3,4)7(5)6;/h(H,5,6);1H4/p-1
InChIKeySXCVQKMMEOFYHW-UHFFFAOYSA-M
XLogP1.02
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;trifluoromethanesulfinate?
The IUPAC name of methane;trifluoromethanesulfinate (CID 90113037) is methane;trifluoromethanesulfinate.
What is the SMILES notation for methane;trifluoromethanesulfinate?
The canonical SMILES for methane;trifluoromethanesulfinate is C.O=S([O-])C(F)(F)F.
What is the InChIKey of methane;trifluoromethanesulfinate?
The InChIKey is SXCVQKMMEOFYHW-UHFFFAOYSA-M. The full InChI is InChI=1S/CHF3O2S.CH4/c2-1(3,4)7(5)6;/h(H,5,6);1H4/p-1.
What are the key properties of methane;trifluoromethanesulfinate?
methane;trifluoromethanesulfinate has a molecular weight of 149.11 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;trifluoromethanesulfinate is sourced from PubChem (CID 90113037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).