1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid

C9H7F2O3PS — CID 175870520

IUPAC1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid
SMILESO=P(O)(Oc1ccc2sccc2c1)C(F)F
InChIInChI=1S/C9H7F2O3PS/c10-9(11)15(12,13)14-7-1-2-8-6(5-7)3-4-16-8/h1-5,9H,(H,12,13)
InChIKeySLZWXUIJQYNHRH-UHFFFAOYSA-N
MW264.19 g/mol
LogP3.69
Rot. Bonds3

About 1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid

1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid (PubChem CID 175870520) has the molecular formula C9H7F2O3PS and a molecular weight of 264.19 g/mol. Its IUPAC name is 1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid.

Molecular Properties

Compound Name1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid
PubChem CID175870520
Molecular FormulaC9H7F2O3PS
Molecular Weight264.19 g/mol
Exact Mass263.98
IUPAC Name1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid
SMILESO=P(O)(Oc1ccc2sccc2c1)C(F)F
InChIInChI=1S/C9H7F2O3PS/c10-9(11)15(12,13)14-7-1-2-8-6(5-7)3-4-16-8/h1-5,9H,(H,12,13)
InChIKeySLZWXUIJQYNHRH-UHFFFAOYSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid?
The IUPAC name of 1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid (CID 175870520) is 1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid.
What is the SMILES notation for 1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid?
The canonical SMILES for 1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid is O=P(O)(Oc1ccc2sccc2c1)C(F)F.
What is the InChIKey of 1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid?
The InChIKey is SLZWXUIJQYNHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2O3PS/c10-9(11)15(12,13)14-7-1-2-8-6(5-7)3-4-16-8/h1-5,9H,(H,12,13).
What are the key properties of 1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid?
1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid has a molecular weight of 264.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-5-yloxy(difluoromethyl)phosphinic acid is sourced from PubChem (CID 175870520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).