CID 175357470

C8H3F20KO6S2 — CID 175357470

IUPAC—
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/2C4F10.K.H2O6S2.H/c2*5-1(6,3(9,10)11)2(7,8)4(12,13)14;;1-7(2,3)8(4,5)6;/h;;;(H,1,2,3)(H,4,5,6);/q;;+1;;-1
InChIKeyJLGYJWIGGYNACK-UHFFFAOYSA-N
MW678.30 g/mol
LogP2.56
Rot. Bonds3

About CID 175357470

CID 175357470 (PubChem CID 175357470) has the molecular formula C8H3F20KO6S2 and a molecular weight of 678.30 g/mol.

Molecular Properties

Compound NameCID 175357470
PubChem CID175357470
Molecular FormulaC8H3F20KO6S2
Molecular Weight678.30 g/mol
Exact Mass677.87
IUPAC Name—
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/2C4F10.K.H2O6S2.H/c2*5-1(6,3(9,10)11)2(7,8)4(12,13)14;;1-7(2,3)8(4,5)6;/h;;;(H,1,2,3)(H,4,5,6);/q;;+1;;-1
InChIKeyJLGYJWIGGYNACK-UHFFFAOYSA-N
XLogP2.56
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175357470?
The IUPAC name of CID 175357470 (CID 175357470) is not available.
What is the SMILES notation for CID 175357470?
The canonical SMILES for CID 175357470 is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)S(=O)(=O)O.[H-].[K+].
What is the InChIKey of CID 175357470?
The InChIKey is JLGYJWIGGYNACK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4F10.K.H2O6S2.H/c2*5-1(6,3(9,10)11)2(7,8)4(12,13)14;;1-7(2,3)8(4,5)6;/h;;;(H,1,2,3)(H,4,5,6);/q;;+1;;-1.
What are the key properties of CID 175357470?
CID 175357470 has a molecular weight of 678.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175357470 is sourced from PubChem (CID 175357470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).