CID 87264841

C2HF2LiN3O4S2 — CID 87264841

IUPAC—
SMILESO=S(=O)(F)c1n[nH]c(S(=O)(=O)F)n1.[Li]
InChIInChI=1S/C2HF2N3O4S2.Li/c3-12(8,9)1-5-2(7-6-1)13(4,10)11;/h(H,5,6,7);
InChIKeyVQNIRLWEFBJRKO-UHFFFAOYSA-N
MW240.12 g/mol
LogP-1.26
Rot. Bonds2

About CID 87264841

CID 87264841 (PubChem CID 87264841) has the molecular formula C2HF2LiN3O4S2 and a molecular weight of 240.12 g/mol.

Molecular Properties

Compound NameCID 87264841
PubChem CID87264841
Molecular FormulaC2HF2LiN3O4S2
Molecular Weight240.12 g/mol
Exact Mass239.95
IUPAC Name—
SMILESO=S(=O)(F)c1n[nH]c(S(=O)(=O)F)n1.[Li]
InChIInChI=1S/C2HF2N3O4S2.Li/c3-12(8,9)1-5-2(7-6-1)13(4,10)11;/h(H,5,6,7);
InChIKeyVQNIRLWEFBJRKO-UHFFFAOYSA-N
XLogP-1.26
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 87264841?
The IUPAC name of CID 87264841 (CID 87264841) is not available.
What is the SMILES notation for CID 87264841?
The canonical SMILES for CID 87264841 is O=S(=O)(F)c1n[nH]c(S(=O)(=O)F)n1.[Li].
What is the InChIKey of CID 87264841?
The InChIKey is VQNIRLWEFBJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF2N3O4S2.Li/c3-12(8,9)1-5-2(7-6-1)13(4,10)11;/h(H,5,6,7);.
What are the key properties of CID 87264841?
CID 87264841 has a molecular weight of 240.12 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87264841 is sourced from PubChem (CID 87264841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).