CID 140704947

C11H21BFO5P — CID 140704947

IUPAC—
SMILES[B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(=O)(O)C(C)C)[C@H]1F
InChIInChI=1S/C11H21BFO5P/c1-6(2)16-5-8-10(9(13)11(12)17-8)18-19(14,15)7(3)4/h6-11H,5H2,1-4H3,(H,14,15)/t8-,9-,10-,11-/m1/s1
InChIKeyZLIRDHYAVWCKNW-GWOFURMSSA-N
MW294.07 g/mol
LogP1.62
Rot. Bonds6

About CID 140704947

CID 140704947 (PubChem CID 140704947) has the molecular formula C11H21BFO5P and a molecular weight of 294.07 g/mol.

Molecular Properties

Compound NameCID 140704947
PubChem CID140704947
Molecular FormulaC11H21BFO5P
Molecular Weight294.07 g/mol
Exact Mass294.12
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(=O)(O)C(C)C)[C@H]1F
InChIInChI=1S/C11H21BFO5P/c1-6(2)16-5-8-10(9(13)11(12)17-8)18-19(14,15)7(3)4/h6-11H,5H2,1-4H3,(H,14,15)/t8-,9-,10-,11-/m1/s1
InChIKeyZLIRDHYAVWCKNW-GWOFURMSSA-N
XLogP1.62
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 140704947?
The IUPAC name of CID 140704947 (CID 140704947) is not available.
What is the SMILES notation for CID 140704947?
The canonical SMILES for CID 140704947 is [B][C@@H]1O[C@H](COC(C)C)[C@@H](OP(=O)(O)C(C)C)[C@H]1F.
What is the InChIKey of CID 140704947?
The InChIKey is ZLIRDHYAVWCKNW-GWOFURMSSA-N. The full InChI is InChI=1S/C11H21BFO5P/c1-6(2)16-5-8-10(9(13)11(12)17-8)18-19(14,15)7(3)4/h6-11H,5H2,1-4H3,(H,14,15)/t8-,9-,10-,11-/m1/s1.
What are the key properties of CID 140704947?
CID 140704947 has a molecular weight of 294.07 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140704947 is sourced from PubChem (CID 140704947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).