CID 157262809

C8H15BFO2P — CID 157262809

IUPAC—
SMILES[B][C@@H]1O[C@](C)(CC)C(OPC)[C@@H]1F
InChIInChI=1S/C8H15BFO2P/c1-4-8(2)6(12-13-3)5(10)7(9)11-8/h5-7,13H,4H2,1-3H3/t5-,6?,7+,8+/m0/s1
InChIKeyOGJUZFPIZRYKMG-KTGGKTQHSA-N
MW203.99 g/mol
LogP1.63
Rot. Bonds3

About CID 157262809

CID 157262809 (PubChem CID 157262809) has the molecular formula C8H15BFO2P and a molecular weight of 203.99 g/mol.

Molecular Properties

Compound NameCID 157262809
PubChem CID157262809
Molecular FormulaC8H15BFO2P
Molecular Weight203.99 g/mol
Exact Mass204.09
IUPAC Name—
SMILES[B][C@@H]1O[C@](C)(CC)C(OPC)[C@@H]1F
InChIInChI=1S/C8H15BFO2P/c1-4-8(2)6(12-13-3)5(10)7(9)11-8/h5-7,13H,4H2,1-3H3/t5-,6?,7+,8+/m0/s1
InChIKeyOGJUZFPIZRYKMG-KTGGKTQHSA-N
XLogP1.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.99
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 157262809?
The IUPAC name of CID 157262809 (CID 157262809) is not available.
What is the SMILES notation for CID 157262809?
The canonical SMILES for CID 157262809 is [B][C@@H]1O[C@](C)(CC)C(OPC)[C@@H]1F.
What is the InChIKey of CID 157262809?
The InChIKey is OGJUZFPIZRYKMG-KTGGKTQHSA-N. The full InChI is InChI=1S/C8H15BFO2P/c1-4-8(2)6(12-13-3)5(10)7(9)11-8/h5-7,13H,4H2,1-3H3/t5-,6?,7+,8+/m0/s1.
What are the key properties of CID 157262809?
CID 157262809 has a molecular weight of 203.99 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157262809 is sourced from PubChem (CID 157262809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).