CID 58995247

C7H10BiF2O4P — CID 58995247

IUPAC—
SMILESCC[C@H]1OC(=O)C(F)(F)C1OC(=O)[Bi].P
InChIInChI=1S/C7H7F2O4.Bi.H3P/c1-2-4-5(12-3-10)7(8,9)6(11)13-4;;/h4-5H,2H2,1H3;;1H3/t4-,5?;;/m1../s1
InChIKeyLTPIRFMCASMTPR-LQAUIFMOSA-N
MW436.10 g/mol
LogP0.69
Rot. Bonds2

About CID 58995247

CID 58995247 (PubChem CID 58995247) has the molecular formula C7H10BiF2O4P and a molecular weight of 436.10 g/mol.

Molecular Properties

Compound NameCID 58995247
PubChem CID58995247
Molecular FormulaC7H10BiF2O4P
Molecular Weight436.10 g/mol
Exact Mass436.01
IUPAC Name—
SMILESCC[C@H]1OC(=O)C(F)(F)C1OC(=O)[Bi].P
InChIInChI=1S/C7H7F2O4.Bi.H3P/c1-2-4-5(12-3-10)7(8,9)6(11)13-4;;/h4-5H,2H2,1H3;;1H3/t4-,5?;;/m1../s1
InChIKeyLTPIRFMCASMTPR-LQAUIFMOSA-N
XLogP0.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.10
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 58995247?
The IUPAC name of CID 58995247 (CID 58995247) is not available.
What is the SMILES notation for CID 58995247?
The canonical SMILES for CID 58995247 is CC[C@H]1OC(=O)C(F)(F)C1OC(=O)[Bi].P.
What is the InChIKey of CID 58995247?
The InChIKey is LTPIRFMCASMTPR-LQAUIFMOSA-N. The full InChI is InChI=1S/C7H7F2O4.Bi.H3P/c1-2-4-5(12-3-10)7(8,9)6(11)13-4;;/h4-5H,2H2,1H3;;1H3/t4-,5?;;/m1../s1.
What are the key properties of CID 58995247?
CID 58995247 has a molecular weight of 436.10 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58995247 is sourced from PubChem (CID 58995247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).