CID 89245942

C11H21BFO6P — CID 89245942

IUPAC—
SMILES[B][C@@H]1O[C@H](COC(C)C)C(OP(=O)(O)OC(C)C)[C@@H]1F
InChIInChI=1S/C11H21BFO6P/c1-6(2)16-5-8-10(9(13)11(12)17-8)19-20(14,15)18-7(3)4/h6-11H,5H2,1-4H3,(H,14,15)/t8-,9+,10?,11-/m1/s1
InChIKeyHLDZVUXISRPRBA-KJLIAQIISA-N
MW310.07 g/mol
LogP1.55
Rot. Bonds7

About CID 89245942

CID 89245942 (PubChem CID 89245942) has the molecular formula C11H21BFO6P and a molecular weight of 310.07 g/mol.

Molecular Properties

Compound NameCID 89245942
PubChem CID89245942
Molecular FormulaC11H21BFO6P
Molecular Weight310.07 g/mol
Exact Mass310.12
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC(C)C)C(OP(=O)(O)OC(C)C)[C@@H]1F
InChIInChI=1S/C11H21BFO6P/c1-6(2)16-5-8-10(9(13)11(12)17-8)19-20(14,15)18-7(3)4/h6-11H,5H2,1-4H3,(H,14,15)/t8-,9+,10?,11-/m1/s1
InChIKeyHLDZVUXISRPRBA-KJLIAQIISA-N
XLogP1.55
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89245942?
The IUPAC name of CID 89245942 (CID 89245942) is not available.
What is the SMILES notation for CID 89245942?
The canonical SMILES for CID 89245942 is [B][C@@H]1O[C@H](COC(C)C)C(OP(=O)(O)OC(C)C)[C@@H]1F.
What is the InChIKey of CID 89245942?
The InChIKey is HLDZVUXISRPRBA-KJLIAQIISA-N. The full InChI is InChI=1S/C11H21BFO6P/c1-6(2)16-5-8-10(9(13)11(12)17-8)19-20(14,15)18-7(3)4/h6-11H,5H2,1-4H3,(H,14,15)/t8-,9+,10?,11-/m1/s1.
What are the key properties of CID 89245942?
CID 89245942 has a molecular weight of 310.07 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89245942 is sourced from PubChem (CID 89245942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).