CID 140663164

C11H21BFO6P — CID 140663164

IUPAC—
SMILES[B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(=O)(O)OC(C)C)C1F
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-CBSBEWHRSA-N
MW310.07 g/mol
LogP1.55
Rot. Bonds7

About CID 140663164

CID 140663164 (PubChem CID 140663164) has the molecular formula C11H21BFO6P and a molecular weight of 310.07 g/mol.

Molecular Properties

Compound NameCID 140663164
PubChem CID140663164
Molecular FormulaC11H21BFO6P
Molecular Weight310.07 g/mol
Exact Mass310.12
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(=O)(O)OC(C)C)C1F
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-CBSBEWHRSA-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 140663164?
The IUPAC name of CID 140663164 (CID 140663164) is not available.
What is the SMILES notation for CID 140663164?
The canonical SMILES for CID 140663164 is [B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(=O)(O)OC(C)C)C1F.
What is the InChIKey of CID 140663164?
The InChIKey is HLDZVUXISRPRBA-CBSBEWHRSA-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 140663164?
CID 140663164 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 140663164 is sourced from PubChem (CID 140663164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).