1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride

C3HF7O2S — CID 13397404

IUPAC1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride
SMILESO=S(=O)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O2S/c4-2(5,6)1(3(7,8)9)13(10,11)12/h1H
InChIKeyYWQKCUVFUKWHNQ-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.78
Rot. Bonds1

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

1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride (PubChem CID 13397404) has the molecular formula C3HF7O2S and a molecular weight of 234.09 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride
PubChem CID13397404
Molecular FormulaC3HF7O2S
Molecular Weight234.09 g/mol
Exact Mass233.96
IUPAC Name1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride
SMILESO=S(=O)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O2S/c4-2(5,6)1(3(7,8)9)13(10,11)12/h1H
InChIKeyYWQKCUVFUKWHNQ-UHFFFAOYSA-N
XLogP1.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride (CID 13397404) is 1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride is O=S(=O)(F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride?
The InChIKey is YWQKCUVFUKWHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O2S/c4-2(5,6)1(3(7,8)9)13(10,11)12/h1H.
What are the key properties of 1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride?
1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride has a molecular weight of 234.09 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropane-2-sulfonyl fluoride is sourced from PubChem (CID 13397404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).