CID 158590529

C15H5BaF19 — CID 158590529

IUPAC—
SMILESFC(F)(F)C(F)(c1ccccc1)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[Ba]
InChIInChI=1S/C15H5F19.Ba/c16-7(12(23,24)25,6-4-2-1-3-5-6)10(19,20)8(17,13(26,27)28)11(21,22)9(18,14(29,30)31)15(32,33)34;/h1-5H;
InChIKeyHUJSQCORSVCHIR-UHFFFAOYSA-N
MW683.49 g/mol
LogP7.41
Rot. Bonds5

About CID 158590529

CID 158590529 (PubChem CID 158590529) has the molecular formula C15H5BaF19 and a molecular weight of 683.49 g/mol.

Molecular Properties

Compound NameCID 158590529
PubChem CID158590529
Molecular FormulaC15H5BaF19
Molecular Weight683.49 g/mol
Exact Mass683.91
IUPAC Name—
SMILESFC(F)(F)C(F)(c1ccccc1)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[Ba]
InChIInChI=1S/C15H5F19.Ba/c16-7(12(23,24)25,6-4-2-1-3-5-6)10(19,20)8(17,13(26,27)28)11(21,22)9(18,14(29,30)31)15(32,33)34;/h1-5H;
InChIKeyHUJSQCORSVCHIR-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.49
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 158590529?
The IUPAC name of CID 158590529 (CID 158590529) is not available.
What is the SMILES notation for CID 158590529?
The canonical SMILES for CID 158590529 is FC(F)(F)C(F)(c1ccccc1)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[Ba].
What is the InChIKey of CID 158590529?
The InChIKey is HUJSQCORSVCHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F19.Ba/c16-7(12(23,24)25,6-4-2-1-3-5-6)10(19,20)8(17,13(26,27)28)11(21,22)9(18,14(29,30)31)15(32,33)34;/h1-5H;.
What are the key properties of CID 158590529?
CID 158590529 has a molecular weight of 683.49 g/mol, XLogP of 7.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158590529 is sourced from PubChem (CID 158590529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).