1,1,2,2,2-pentafluoroethylsulfonylmethanolate

C3H2F5O3S- — CID 150848433

IUPAC1,1,2,2,2-pentafluoroethylsulfonylmethanolate
SMILESO=S(=O)(C[O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F5O3S/c4-2(5,6)3(7,8)12(10,11)1-9/h1H2/q-1
InChIKeyKPMXUERWWPNOPQ-UHFFFAOYSA-N
MW213.10 g/mol
LogP-0.13
Rot. Bonds2

About 1,1,2,2,2-pentafluoroethylsulfonylmethanolate

1,1,2,2,2-pentafluoroethylsulfonylmethanolate (PubChem CID 150848433) has the molecular formula C3H2F5O3S- and a molecular weight of 213.10 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethylsulfonylmethanolate.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethylsulfonylmethanolate
PubChem CID150848433
Molecular FormulaC3H2F5O3S-
Molecular Weight213.10 g/mol
Exact Mass212.97
IUPAC Name1,1,2,2,2-pentafluoroethylsulfonylmethanolate
SMILESO=S(=O)(C[O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F5O3S/c4-2(5,6)3(7,8)12(10,11)1-9/h1H2/q-1
InChIKeyKPMXUERWWPNOPQ-UHFFFAOYSA-N
XLogP-0.13
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethylsulfonylmethanolate?
The IUPAC name of 1,1,2,2,2-pentafluoroethylsulfonylmethanolate (CID 150848433) is 1,1,2,2,2-pentafluoroethylsulfonylmethanolate.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethylsulfonylmethanolate?
The canonical SMILES for 1,1,2,2,2-pentafluoroethylsulfonylmethanolate is O=S(=O)(C[O-])C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethylsulfonylmethanolate?
The InChIKey is KPMXUERWWPNOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F5O3S/c4-2(5,6)3(7,8)12(10,11)1-9/h1H2/q-1.
What are the key properties of 1,1,2,2,2-pentafluoroethylsulfonylmethanolate?
1,1,2,2,2-pentafluoroethylsulfonylmethanolate has a molecular weight of 213.10 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethylsulfonylmethanolate is sourced from PubChem (CID 150848433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).