CID 162141889

C13H10BiF2O6 — CID 162141889

IUPAC—
SMILESO=C([BiH])OC1[C@@H](COC(=O)c2ccccc2)OC(=O)C1(F)F
InChIInChI=1S/C13H9F2O6.Bi.H/c14-13(15)10(20-7-16)9(21-12(13)18)6-19-11(17)8-4-2-1-3-5-8;;/h1-5,9-10H,6H2;;/t9-,10?;;/m1../s1
InChIKeyWVILNNSZRXSGFQ-BFBVBPSISA-N
MW509.19 g/mol
LogP0.81
Rot. Bonds4

About CID 162141889

CID 162141889 (PubChem CID 162141889) has the molecular formula C13H10BiF2O6 and a molecular weight of 509.19 g/mol.

Molecular Properties

Compound NameCID 162141889
PubChem CID162141889
Molecular FormulaC13H10BiF2O6
Molecular Weight509.19 g/mol
Exact Mass509.02
IUPAC Name—
SMILESO=C([BiH])OC1[C@@H](COC(=O)c2ccccc2)OC(=O)C1(F)F
InChIInChI=1S/C13H9F2O6.Bi.H/c14-13(15)10(20-7-16)9(21-12(13)18)6-19-11(17)8-4-2-1-3-5-8;;/h1-5,9-10H,6H2;;/t9-,10?;;/m1../s1
InChIKeyWVILNNSZRXSGFQ-BFBVBPSISA-N
XLogP0.81
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.19
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

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CID 14727490
[(2R,3R,5R)-3,5-dibenzoyloxy-4,4-difluorooxolan-2-yl]methyl benzoate
CID 141214431
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(2R,3R,5R)-3-benzoyloxy-4,4-difluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 15673520
[(3R,4R,5R)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
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[(2R,3R,4R,5R)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
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[(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate
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Frequently Asked Questions

What is the IUPAC name of CID 162141889?
The IUPAC name of CID 162141889 (CID 162141889) is not available.
What is the SMILES notation for CID 162141889?
The canonical SMILES for CID 162141889 is O=C([BiH])OC1[C@@H](COC(=O)c2ccccc2)OC(=O)C1(F)F.
What is the InChIKey of CID 162141889?
The InChIKey is WVILNNSZRXSGFQ-BFBVBPSISA-N. The full InChI is InChI=1S/C13H9F2O6.Bi.H/c14-13(15)10(20-7-16)9(21-12(13)18)6-19-11(17)8-4-2-1-3-5-8;;/h1-5,9-10H,6H2;;/t9-,10?;;/m1../s1.
What are the key properties of CID 162141889?
CID 162141889 has a molecular weight of 509.19 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162141889 is sourced from PubChem (CID 162141889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).