1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride

C3H3F5O2S — CID 118682782

IUPAC1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride
SMILESO=S(=O)(F)C(CF)C(F)(F)F
InChIInChI=1S/C3H3F5O2S/c4-1-2(3(5,6)7)11(8,9)10/h2H,1H2
InChIKeyWNMZMAVJMNLCQO-UHFFFAOYSA-N
MW198.11 g/mol
LogP1.19
Rot. Bonds2

About 1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride

1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride (PubChem CID 118682782) has the molecular formula C3H3F5O2S and a molecular weight of 198.11 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride.

Molecular Properties

Compound Name1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride
PubChem CID118682782
Molecular FormulaC3H3F5O2S
Molecular Weight198.11 g/mol
Exact Mass197.98
IUPAC Name1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride
SMILESO=S(=O)(F)C(CF)C(F)(F)F
InChIInChI=1S/C3H3F5O2S/c4-1-2(3(5,6)7)11(8,9)10/h2H,1H2
InChIKeyWNMZMAVJMNLCQO-UHFFFAOYSA-N
XLogP1.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride?
The IUPAC name of 1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride (CID 118682782) is 1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride.
What is the SMILES notation for 1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride?
The canonical SMILES for 1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride is O=S(=O)(F)C(CF)C(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride?
The InChIKey is WNMZMAVJMNLCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O2S/c4-1-2(3(5,6)7)11(8,9)10/h2H,1H2.
What are the key properties of 1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride?
1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride has a molecular weight of 198.11 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoropropane-2-sulfonyl fluoride is sourced from PubChem (CID 118682782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).