CID 89333315

C11H19BFO3P — CID 89333315

IUPAC—
SMILES[B]C1CC(CCP(=O)(OCC)OCC)C=C1F
InChIInChI=1S/C11H19BFO3P/c1-3-15-17(14,16-4-2)6-5-9-7-10(12)11(13)8-9/h8-10H,3-7H2,1-2H3
InChIKeyVDPRXZARRNDFNZ-UHFFFAOYSA-N
MW260.05 g/mol
LogP3.47
Rot. Bonds7

About CID 89333315

CID 89333315 (PubChem CID 89333315) has the molecular formula C11H19BFO3P and a molecular weight of 260.05 g/mol.

Molecular Properties

Compound NameCID 89333315
PubChem CID89333315
Molecular FormulaC11H19BFO3P
Molecular Weight260.05 g/mol
Exact Mass260.11
IUPAC Name—
SMILES[B]C1CC(CCP(=O)(OCC)OCC)C=C1F
InChIInChI=1S/C11H19BFO3P/c1-3-15-17(14,16-4-2)6-5-9-7-10(12)11(13)8-9/h8-10H,3-7H2,1-2H3
InChIKeyVDPRXZARRNDFNZ-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 89333315?
The IUPAC name of CID 89333315 (CID 89333315) is not available.
What is the SMILES notation for CID 89333315?
The canonical SMILES for CID 89333315 is [B]C1CC(CCP(=O)(OCC)OCC)C=C1F.
What is the InChIKey of CID 89333315?
The InChIKey is VDPRXZARRNDFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BFO3P/c1-3-15-17(14,16-4-2)6-5-9-7-10(12)11(13)8-9/h8-10H,3-7H2,1-2H3.
What are the key properties of CID 89333315?
CID 89333315 has a molecular weight of 260.05 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89333315 is sourced from PubChem (CID 89333315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).