CID 153493618

C₁₁H₂₂BFNO₄P — CID 153493618

About CID 153493618

CID 153493618 (PubChem CID 153493618) has the molecular formula C₁₁H₂₂BFNO₄P and a molecular weight of 293.08 g/mol.

Molecular Properties

• Compound Name: CID 153493618
• PubChem CID: 153493618
• Molecular Formula: C₁₁H₂₂BFNO₄P
• Molecular Weight: 293.08 g/mol
• Exact Mass: 293.14
• IUPAC Name: —
• SMILES: [B][C@@H]1O[C@H](CC(C)C)C(NP(=O)(O)OC(C)C)[C@@H]1F
• InChI: InChI=1S/C11H22BFNO4P/c1-6(2)5-8-10(9(13)11(12)17-8)14-19(15,16)18-7(3)4/h6-11H,5H2,1-4H3,(H2,14,15,16)/t8-,9+,10?,11-/m1/s1
• InChIKey: VMCQSKOTJZBVOQ-KJLIAQIISA-N
• XLogP: 1.75
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.08
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 153493618?

The IUPAC name of CID 153493618 (CID 153493618) is not available.

What is the SMILES notation for CID 153493618?

The canonical SMILES for CID 153493618 is [B][C@@H]1O[C@H](CC(C)C)C(NP(=O)(O)OC(C)C)[C@@H]1F.

What is the InChIKey of CID 153493618?

The InChIKey is VMCQSKOTJZBVOQ-KJLIAQIISA-N. The full InChI is InChI=1S/C11H22BFNO4P/c1-6(2)5-8-10(9(13)11(12)17-8)14-19(15,16)18-7(3)4/h6-11H,5H2,1-4H3,(H2,14,15,16)/t8-,9+,10?,11-/m1/s1.

What are the key properties of CID 153493618?

CID 153493618 has a molecular weight of 293.08 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 153493618 is sourced from PubChem (CID 153493618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153493618 — identifiers, structure, computed properties (public domain)

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