CID 88736755

C17H15F24IO3S — CID 88736755

IUPAC—
SMILESFC(CCCCCCCC(F)(F)F)C(F)(F)[I+](F)(F)(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C16H15F21I.CHF3O3S/c17-8(6-4-2-1-3-5-7-9(18,19)20)10(21,22)38(34,35,36,37)16(33)14(29,30)12(25,26)11(23,24)13(27,28)15(16,31)32;2-1(3,4)8(5,6)7/h8H,1-7H2;(H,5,6,7)/q+1;/p-1
InChIKeyHNARXDQEKQBZMV-UHFFFAOYSA-M
MW882.23 g/mol
LogP6.89
Rot. Bonds10

About CID 88736755

CID 88736755 (PubChem CID 88736755) has the molecular formula C17H15F24IO3S and a molecular weight of 882.23 g/mol.

Molecular Properties

Compound NameCID 88736755
PubChem CID88736755
Molecular FormulaC17H15F24IO3S
Molecular Weight882.23 g/mol
Exact Mass881.94
IUPAC Name—
SMILESFC(CCCCCCCC(F)(F)F)C(F)(F)[I+](F)(F)(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C16H15F21I.CHF3O3S/c17-8(6-4-2-1-3-5-7-9(18,19)20)10(21,22)38(34,35,36,37)16(33)14(29,30)12(25,26)11(23,24)13(27,28)15(16,31)32;2-1(3,4)8(5,6)7/h8H,1-7H2;(H,5,6,7)/q+1;/p-1
InChIKeyHNARXDQEKQBZMV-UHFFFAOYSA-M
XLogP6.89
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.23
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
CID 141492430
potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate
CID 141492670
lithium 1,1,2,2,3,9,9,9-octafluorononane-1-sulfonate
CID 141492125
potassium 1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141491902
lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
CID 141492467
dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492118
dimethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141492373
1,7,7,7-tetrafluoroheptane-1-sulfonic acid
CID 141491980
azanium 1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492353
N-methylmethanamine;1,1,2,2,3,12,12,12-octafluorododecane-1-sulfonic acid
CID 171922644
tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141491935
tetraethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492364

Frequently Asked Questions

What is the IUPAC name of CID 88736755?
The IUPAC name of CID 88736755 (CID 88736755) is not available.
What is the SMILES notation for CID 88736755?
The canonical SMILES for CID 88736755 is FC(CCCCCCCC(F)(F)F)C(F)(F)[I+](F)(F)(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of CID 88736755?
The InChIKey is HNARXDQEKQBZMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15F21I.CHF3O3S/c17-8(6-4-2-1-3-5-7-9(18,19)20)10(21,22)38(34,35,36,37)16(33)14(29,30)12(25,26)11(23,24)13(27,28)15(16,31)32;2-1(3,4)8(5,6)7/h8H,1-7H2;(H,5,6,7)/q+1;/p-1.
What are the key properties of CID 88736755?
CID 88736755 has a molecular weight of 882.23 g/mol, XLogP of 6.89, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88736755 is sourced from PubChem (CID 88736755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).