ethane;trifluoromethanesulfinate

C3H6F3O2S- — CID 89437311

IUPACethane;trifluoromethanesulfinate
SMILESCC.O=S([O-])C(F)(F)F
InChIInChI=1S/C2H6.CHF3O2S/c1-2;2-1(3,4)7(5)6/h1-2H3;(H,5,6)/p-1
InChIKeyFGFSEFLJDXERGG-UHFFFAOYSA-M
MW163.14 g/mol
LogP1.41
Rot. Bonds

About ethane;trifluoromethanesulfinate

ethane;trifluoromethanesulfinate (PubChem CID 89437311) has the molecular formula C3H6F3O2S- and a molecular weight of 163.14 g/mol. Its IUPAC name is ethane;trifluoromethanesulfinate.

Molecular Properties

Compound Nameethane;trifluoromethanesulfinate
PubChem CID89437311
Molecular FormulaC3H6F3O2S-
Molecular Weight163.14 g/mol
Exact Mass163.00
IUPAC Nameethane;trifluoromethanesulfinate
SMILESCC.O=S([O-])C(F)(F)F
InChIInChI=1S/C2H6.CHF3O2S/c1-2;2-1(3,4)7(5)6/h1-2H3;(H,5,6)/p-1
InChIKeyFGFSEFLJDXERGG-UHFFFAOYSA-M
XLogP1.41
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 57055331
CID 57055331
CID 87366591
CID 87366591
CID 90113037
CID 90113037
CID 91046913
CID 91046913
CID 122622426
CID 122622426
CID 174805380
CID 174805380
CID 102330583
CID 102330583
CID 121394090
CID 121394090

Frequently Asked Questions

What is the IUPAC name of ethane;trifluoromethanesulfinate?
The IUPAC name of ethane;trifluoromethanesulfinate (CID 89437311) is ethane;trifluoromethanesulfinate.
What is the SMILES notation for ethane;trifluoromethanesulfinate?
The canonical SMILES for ethane;trifluoromethanesulfinate is CC.O=S([O-])C(F)(F)F.
What is the InChIKey of ethane;trifluoromethanesulfinate?
The InChIKey is FGFSEFLJDXERGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6.CHF3O2S/c1-2;2-1(3,4)7(5)6/h1-2H3;(H,5,6)/p-1.
What are the key properties of ethane;trifluoromethanesulfinate?
ethane;trifluoromethanesulfinate has a molecular weight of 163.14 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trifluoromethanesulfinate is sourced from PubChem (CID 89437311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).