1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride

C4ClF9O2S — CID 89346686

IUPAC1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4ClF9O2S/c5-17(15,16)4(13,14)1(6,2(7,8)9)3(10,11)12
InChIKeyZMLGAEKUXGBGRK-UHFFFAOYSA-N
MW318.54 g/mol
LogP2.98
Rot. Bonds2

About 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride

1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride (PubChem CID 89346686) has the molecular formula C4ClF9O2S and a molecular weight of 318.54 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
PubChem CID89346686
Molecular FormulaC4ClF9O2S
Molecular Weight318.54 g/mol
Exact Mass317.92
IUPAC Name1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4ClF9O2S/c5-17(15,16)4(13,14)1(6,2(7,8)9)3(10,11)12
InChIKeyZMLGAEKUXGBGRK-UHFFFAOYSA-N
XLogP2.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.54
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride
CID 10926127
1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride
CID 86072668
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonyl chloride
CID 22623361
1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide
CID 89346717
azane;trifluoromethanesulfonyl chloride
CID 87630754
1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride
CID 13311584
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane
CID 22105014
1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide
CID 3022204
1,1-difluoro-2-hydroxyethanesulfonyl chloride
CID 58288757
1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide
CID 138683486
dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
CID 153294032
2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride
CID 19786045

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride?
The IUPAC name of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride (CID 89346686) is 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride?
The canonical SMILES for 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride is O=S(=O)(Cl)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride?
The InChIKey is ZMLGAEKUXGBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF9O2S/c5-17(15,16)4(13,14)1(6,2(7,8)9)3(10,11)12.
What are the key properties of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride?
1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride has a molecular weight of 318.54 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride is sourced from PubChem (CID 89346686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).