CID 123494471

C9H17BFO5P — CID 123494471

IUPAC—
SMILES[B]C1OC(COC)C(OP(=O)(CC)OC)C1F
InChIInChI=1S/C9H17BFO5P/c1-4-17(12,14-3)16-8-6(5-13-2)15-9(10)7(8)11/h6-9H,4-5H2,1-3H3
InChIKeyQHLBLOBGRDSXPT-UHFFFAOYSA-N
MW266.01 g/mol
LogP1.11
Rot. Bonds6

About CID 123494471

CID 123494471 (PubChem CID 123494471) has the molecular formula C9H17BFO5P and a molecular weight of 266.01 g/mol.

Molecular Properties

Compound NameCID 123494471
PubChem CID123494471
Molecular FormulaC9H17BFO5P
Molecular Weight266.01 g/mol
Exact Mass266.09
IUPAC Name—
SMILES[B]C1OC(COC)C(OP(=O)(CC)OC)C1F
InChIInChI=1S/C9H17BFO5P/c1-4-17(12,14-3)16-8-6(5-13-2)15-9(10)7(8)11/h6-9H,4-5H2,1-3H3
InChIKeyQHLBLOBGRDSXPT-UHFFFAOYSA-N
XLogP1.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.01
LogP ≤ 51.11
H-Bond Donors ≤ 50
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 123494471?
The IUPAC name of CID 123494471 (CID 123494471) is not available.
What is the SMILES notation for CID 123494471?
The canonical SMILES for CID 123494471 is [B]C1OC(COC)C(OP(=O)(CC)OC)C1F.
What is the InChIKey of CID 123494471?
The InChIKey is QHLBLOBGRDSXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BFO5P/c1-4-17(12,14-3)16-8-6(5-13-2)15-9(10)7(8)11/h6-9H,4-5H2,1-3H3.
What are the key properties of CID 123494471?
CID 123494471 has a molecular weight of 266.01 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123494471 is sourced from PubChem (CID 123494471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).