CID 58995243

C7H9BiF2O4 — CID 58995243

IUPAC—
SMILESCC[C@H]1OC(O)C(F)(F)C1OC(=O)[Bi]
InChIInChI=1S/C7H9F2O4.Bi/c1-2-4-5(12-3-10)7(8,9)6(11)13-4;/h4-6,11H,2H2,1H3;/t4-,5?,6?;/m1./s1
InChIKeyMALBBSLSXHJJNG-USXJDJNKSA-N
MW404.12 g/mol
LogP0.42
Rot. Bonds2

About CID 58995243

CID 58995243 (PubChem CID 58995243) has the molecular formula C7H9BiF2O4 and a molecular weight of 404.12 g/mol.

Molecular Properties

Compound NameCID 58995243
PubChem CID58995243
Molecular FormulaC7H9BiF2O4
Molecular Weight404.12 g/mol
Exact Mass404.03
IUPAC Name—
SMILESCC[C@H]1OC(O)C(F)(F)C1OC(=O)[Bi]
InChIInChI=1S/C7H9F2O4.Bi/c1-2-4-5(12-3-10)7(8,9)6(11)13-4;/h4-6,11H,2H2,1H3;/t4-,5?,6?;/m1./s1
InChIKeyMALBBSLSXHJJNG-USXJDJNKSA-N
XLogP0.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.12
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58995243?
The IUPAC name of CID 58995243 (CID 58995243) is not available.
What is the SMILES notation for CID 58995243?
The canonical SMILES for CID 58995243 is CC[C@H]1OC(O)C(F)(F)C1OC(=O)[Bi].
What is the InChIKey of CID 58995243?
The InChIKey is MALBBSLSXHJJNG-USXJDJNKSA-N. The full InChI is InChI=1S/C7H9F2O4.Bi/c1-2-4-5(12-3-10)7(8,9)6(11)13-4;/h4-6,11H,2H2,1H3;/t4-,5?,6?;/m1./s1.
What are the key properties of CID 58995243?
CID 58995243 has a molecular weight of 404.12 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58995243 is sourced from PubChem (CID 58995243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).