2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid

C6HF10O5S- — CID 140525103

IUPAC2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid
SMILESO=C(O)C(F)(SOO[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F10O5S/c7-2(1(17)18,22-21-20-19)3(8,9)4(10,11)5(12,13)6(14,15)16/h19H,(H,17,18)/p-1
InChIKeyUDZFHNMOSMSADQ-UHFFFAOYSA-M
MW375.12 g/mol
LogP2.08
Rot. Bonds7

About 2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid

2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid (PubChem CID 140525103) has the molecular formula C6HF10O5S- and a molecular weight of 375.12 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid
PubChem CID140525103
Molecular FormulaC6HF10O5S-
Molecular Weight375.12 g/mol
Exact Mass374.94
IUPAC Name2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid
SMILESO=C(O)C(F)(SOO[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F10O5S/c7-2(1(17)18,22-21-20-19)3(8,9)4(10,11)5(12,13)6(14,15)16/h19H,(H,17,18)/p-1
InChIKeyUDZFHNMOSMSADQ-UHFFFAOYSA-M
XLogP2.08
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.12
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-adamantylmethyl 2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoate
CID 140513492
(2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate
CID 59602062
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-octatriacontafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)icosanoic acid
CID 139774776
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)propanedioic acid
CID 169091833
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro(1,2-13C2)hexadecanoic acid
CID 165363579
2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride
CID 58852794
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid;hydrochloride
CID 162574221
2-(1,1,2,2,2-pentafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)propanedioic acid
CID 169091830
CID 87197616
CID 87197616
silver;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CID 142472251
CID 87771874
CID 87771874
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-bis(trifluoromethyl)octanoic acid
CID 139972180

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid?
The IUPAC name of 2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid (CID 140525103) is 2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid.
What is the SMILES notation for 2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid?
The canonical SMILES for 2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid is O=C(O)C(F)(SOO[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid?
The InChIKey is UDZFHNMOSMSADQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H2F10O5S/c7-2(1(17)18,22-21-20-19)3(8,9)4(10,11)5(12,13)6(14,15)16/h19H,(H,17,18)/p-1.
What are the key properties of 2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid?
2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid has a molecular weight of 375.12 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid is sourced from PubChem (CID 140525103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).