CID 153493618

C11H22BFNO4P — CID 153493618

IUPAC—
SMILES[B][C@@H]1O[C@H](CC(C)C)C(NP(=O)(O)OC(C)C)[C@@H]1F
InChIInChI=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
InChIKeyVMCQSKOTJZBVOQ-KJLIAQIISA-N
MW293.08 g/mol
LogP1.75
Rot. Bonds6

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 NameCID 153493618
PubChem CID153493618
Molecular FormulaC11H22BFNO4P
Molecular Weight293.08 g/mol
Exact Mass293.14
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CC(C)C)C(NP(=O)(O)OC(C)C)[C@@H]1F
InChIInChI=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
InChIKeyVMCQSKOTJZBVOQ-KJLIAQIISA-N
XLogP1.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 51.75
H-Bond Donors ≤ 52
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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Related Compounds

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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).