CID 87399928

C7HF16LiNO4S2 — CID 87399928

IUPAC—
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.[Li]
InChIInChI=1S/C7HF16NO4S2.Li/c8-1(9,4(14,15)16)2(10,11)6(20,21)29(25,26)24-30(27,28)7(22,23)3(12,13)5(17,18)19;/h24H;
InChIKeyIJFUJZAJRLLDOY-UHFFFAOYSA-N
MW538.13 g/mol
LogP3.07
Rot. Bonds7

About CID 87399928

CID 87399928 (PubChem CID 87399928) has the molecular formula C7HF16LiNO4S2 and a molecular weight of 538.13 g/mol.

Molecular Properties

Compound NameCID 87399928
PubChem CID87399928
Molecular FormulaC7HF16LiNO4S2
Molecular Weight538.13 g/mol
Exact Mass537.93
IUPAC Name—
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.[Li]
InChIInChI=1S/C7HF16NO4S2.Li/c8-1(9,4(14,15)16)2(10,11)6(20,21)29(25,26)24-30(27,28)7(22,23)3(12,13)5(17,18)19;/h24H;
InChIKeyIJFUJZAJRLLDOY-UHFFFAOYSA-N
XLogP3.07
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.13
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87399928?
The IUPAC name of CID 87399928 (CID 87399928) is not available.
What is the SMILES notation for CID 87399928?
The canonical SMILES for CID 87399928 is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.[Li].
What is the InChIKey of CID 87399928?
The InChIKey is IJFUJZAJRLLDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF16NO4S2.Li/c8-1(9,4(14,15)16)2(10,11)6(20,21)29(25,26)24-30(27,28)7(22,23)3(12,13)5(17,18)19;/h24H;.
What are the key properties of CID 87399928?
CID 87399928 has a molecular weight of 538.13 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87399928 is sourced from PubChem (CID 87399928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).