CID 20584623

C8H15BFO2PS — CID 20584623

IUPAC—
SMILES[B]PSOCC1OC(C)C(C)(C)C1F
InChIInChI=1S/C8H15BFO2PS/c1-5-8(2,3)7(10)6(12-5)4-11-14-13-9/h5-7,13H,4H2,1-3H3
InChIKeyUUXNZEMTSFYVPH-UHFFFAOYSA-N
MW236.06 g/mol
LogP2.48
Rot. Bonds4

About CID 20584623

CID 20584623 (PubChem CID 20584623) has the molecular formula C8H15BFO2PS and a molecular weight of 236.06 g/mol.

Molecular Properties

Compound NameCID 20584623
PubChem CID20584623
Molecular FormulaC8H15BFO2PS
Molecular Weight236.06 g/mol
Exact Mass236.06
IUPAC Name—
SMILES[B]PSOCC1OC(C)C(C)(C)C1F
InChIInChI=1S/C8H15BFO2PS/c1-5-8(2,3)7(10)6(12-5)4-11-14-13-9/h5-7,13H,4H2,1-3H3
InChIKeyUUXNZEMTSFYVPH-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20584623?
The IUPAC name of CID 20584623 (CID 20584623) is not available.
What is the SMILES notation for CID 20584623?
The canonical SMILES for CID 20584623 is [B]PSOCC1OC(C)C(C)(C)C1F.
What is the InChIKey of CID 20584623?
The InChIKey is UUXNZEMTSFYVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BFO2PS/c1-5-8(2,3)7(10)6(12-5)4-11-14-13-9/h5-7,13H,4H2,1-3H3.
What are the key properties of CID 20584623?
CID 20584623 has a molecular weight of 236.06 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20584623 is sourced from PubChem (CID 20584623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).