CID 134977852

C18H9F3LiO6P — CID 134977852

IUPAC—
SMILESFc1cccc2c1O[P-]13(O2)(Oc2cccc(F)c2O1)Oc1cccc(F)c1O3.[Li+]
InChIInChI=1S/C18H9F3O6P.Li/c19-10-4-1-7-13-16(10)25-28(22-13,23-14-8-2-5-11(20)17(14)26-28)24-15-9-3-6-12(21)18(15)27-28;/h1-9H;/q-1;+1
InChIKeyWDXODRZESLVNPF-UHFFFAOYSA-N
MW416.17 g/mol
LogP2.40
Rot. Bonds

About CID 134977852

CID 134977852 (PubChem CID 134977852) has the molecular formula C18H9F3LiO6P and a molecular weight of 416.17 g/mol.

Molecular Properties

Compound NameCID 134977852
PubChem CID134977852
Molecular FormulaC18H9F3LiO6P
Molecular Weight416.17 g/mol
Exact Mass416.02
IUPAC Name—
SMILESFc1cccc2c1O[P-]13(O2)(Oc2cccc(F)c2O1)Oc1cccc(F)c1O3.[Li+]
InChIInChI=1S/C18H9F3O6P.Li/c19-10-4-1-7-13-16(10)25-28(22-13,23-14-8-2-5-11(20)17(14)26-28)24-15-9-3-6-12(21)18(15)27-28;/h1-9H;/q-1;+1
InChIKeyWDXODRZESLVNPF-UHFFFAOYSA-N
XLogP2.40
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134977852?
The IUPAC name of CID 134977852 (CID 134977852) is not available.
What is the SMILES notation for CID 134977852?
The canonical SMILES for CID 134977852 is Fc1cccc2c1O[P-]13(O2)(Oc2cccc(F)c2O1)Oc1cccc(F)c1O3.[Li+].
What is the InChIKey of CID 134977852?
The InChIKey is WDXODRZESLVNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3O6P.Li/c19-10-4-1-7-13-16(10)25-28(22-13,23-14-8-2-5-11(20)17(14)26-28)24-15-9-3-6-12(21)18(15)27-28;/h1-9H;/q-1;+1.
What are the key properties of CID 134977852?
CID 134977852 has a molecular weight of 416.17 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134977852 is sourced from PubChem (CID 134977852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).