difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid

C5HF11O4S — CID 139596109

IUPACdifluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF11O4S/c6-1(2(7,8)9,3(10,11)12)4(13,14)20-5(15,16)21(17,18)19/h(H,17,18,19)
InChIKeyMQXOQXJTHNLHTF-UHFFFAOYSA-N
MW366.10 g/mol
LogP2.87
Rot. Bonds4

About difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid

difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid (PubChem CID 139596109) has the molecular formula C5HF11O4S and a molecular weight of 366.10 g/mol. Its IUPAC name is difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid.

Molecular Properties

Compound Namedifluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid
PubChem CID139596109
Molecular FormulaC5HF11O4S
Molecular Weight366.10 g/mol
Exact Mass365.94
IUPAC Namedifluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF11O4S/c6-1(2(7,8)9,3(10,11)12)4(13,14)20-5(15,16)21(17,18)19/h(H,17,18,19)
InChIKeyMQXOQXJTHNLHTF-UHFFFAOYSA-N
XLogP2.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

OPFLSA_i n=3
CID 139595640
4-(Perfluoromethoxy)perfluorobutane sulfonic acid
CID 139596091
OPFLSA_i n=2
CID 139596680
Oxa-PFSAs(n3)
CID 139597355
Difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid
CID 22568730
1,1,2,2,3,3-Hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane-1-sulfonic acid
CID 22568763
Perfluoropentane ether sulfonate
CID 23533144
1,2,2,2-Tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid
CID 23533146
Difluoro-[1,1,1,2,3,3-hexafluoro-3-(trifluoromethoxy)propan-2-yl]oxymethanesulfonic acid
CID 23599865
(E)-1,2-Difluoro-2-(heptafluoropropoxy)ethenesulfonic acid
CID 177840506

Frequently Asked Questions

What is the IUPAC name of difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid?
The IUPAC name of difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid (CID 139596109) is difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid.
What is the SMILES notation for difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid?
The canonical SMILES for difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid is O=S(=O)(O)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid?
The InChIKey is MQXOQXJTHNLHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF11O4S/c6-1(2(7,8)9,3(10,11)12)4(13,14)20-5(15,16)21(17,18)19/h(H,17,18,19).
What are the key properties of difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid?
difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid has a molecular weight of 366.10 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid is sourced from PubChem (CID 139596109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).