1,2,2,2-tetrafluoroethanesulfinic acid

C2H2F4O2S — CID 57279877

IUPAC1,2,2,2-tetrafluoroethanesulfinic acid
SMILESO=S(O)C(F)C(F)(F)F
InChIInChI=1S/C2H2F4O2S/c3-1(9(7)8)2(4,5)6/h1H,(H,7,8)
InChIKeyNNSCNWNHTDUPTQ-UHFFFAOYSA-N
MW166.09 g/mol
LogP1.07
Rot. Bonds1

About 1,2,2,2-tetrafluoroethanesulfinic acid

1,2,2,2-tetrafluoroethanesulfinic acid (PubChem CID 57279877) has the molecular formula C2H2F4O2S and a molecular weight of 166.09 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoroethanesulfinic acid.

Molecular Properties

Compound Name1,2,2,2-tetrafluoroethanesulfinic acid
PubChem CID57279877
Molecular FormulaC2H2F4O2S
Molecular Weight166.09 g/mol
Exact Mass165.97
IUPAC Name1,2,2,2-tetrafluoroethanesulfinic acid
SMILESO=S(O)C(F)C(F)(F)F
InChIInChI=1S/C2H2F4O2S/c3-1(9(7)8)2(4,5)6/h1H,(H,7,8)
InChIKeyNNSCNWNHTDUPTQ-UHFFFAOYSA-N
XLogP1.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.09
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoropropane-2-sulfinic acid
CID 90937368
difluoromethanesulfinic acid;zinc
CID 140809876
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);sulfurous acid
CID 71441894
2,2,3,3,4,4-hexafluoro-1-hydroxy-4-hydroxysulfanylbutane-1-sulfinic acid
CID 163606703
CID 146226075
CID 146226075
(2S)-2,3,3,3-tetrafluoropropanamide
CID 7005133
2,2,2-trifluoro-1-phenylethanesulfinic acid
CID 18758760
2,2-dichloro-1,1-difluoroethanesulfinic acid
CID 19782021
2,2-diaminoethane-1,1-disulfinic acid
CID 175067064
1,1,1,2,3,3,3-heptafluoropropane-2-sulfinic acid
CID 12522022
1,2-dihydroxyethane-1,2-disulfinic acid
CID 87186532
2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene
CID 155490535

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoroethanesulfinic acid?
The IUPAC name of 1,2,2,2-tetrafluoroethanesulfinic acid (CID 57279877) is 1,2,2,2-tetrafluoroethanesulfinic acid.
What is the SMILES notation for 1,2,2,2-tetrafluoroethanesulfinic acid?
The canonical SMILES for 1,2,2,2-tetrafluoroethanesulfinic acid is O=S(O)C(F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoroethanesulfinic acid?
The InChIKey is NNSCNWNHTDUPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O2S/c3-1(9(7)8)2(4,5)6/h1H,(H,7,8).
What are the key properties of 1,2,2,2-tetrafluoroethanesulfinic acid?
1,2,2,2-tetrafluoroethanesulfinic acid has a molecular weight of 166.09 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoroethanesulfinic acid is sourced from PubChem (CID 57279877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).