CID 159087942

C8H15BFO2P — CID 159087942

IUPAC—
SMILES[B][C@@H]1O[C@](C)(CC)[C@H](OPC)C1F
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-/m1/s1
InChIKeyOGJUZFPIZRYKMG-UIYHXYAWSA-N
MW203.99 g/mol
LogP1.63
Rot. Bonds3

About CID 159087942

CID 159087942 (PubChem CID 159087942) has the molecular formula C8H15BFO2P and a molecular weight of 203.99 g/mol.

Molecular Properties

Compound NameCID 159087942
PubChem CID159087942
Molecular FormulaC8H15BFO2P
Molecular Weight203.99 g/mol
Exact Mass204.09
IUPAC Name—
SMILES[B][C@@H]1O[C@](C)(CC)[C@H](OPC)C1F
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-/m1/s1
InChIKeyOGJUZFPIZRYKMG-UIYHXYAWSA-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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Related Compounds

CID 157262809
CID 157262809
CID 157990696
CID 157990696
CID 161816117
CID 161816117
CID 59119827
CID 59119827
CID 157990697
CID 157990697

Frequently Asked Questions

What is the IUPAC name of CID 159087942?
The IUPAC name of CID 159087942 (CID 159087942) is not available.
What is the SMILES notation for CID 159087942?
The canonical SMILES for CID 159087942 is [B][C@@H]1O[C@](C)(CC)[C@H](OPC)C1F.
What is the InChIKey of CID 159087942?
The InChIKey is OGJUZFPIZRYKMG-UIYHXYAWSA-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-/m1/s1.
What are the key properties of CID 159087942?
CID 159087942 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 159087942 is sourced from PubChem (CID 159087942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).