CID 140910783

C6H5BF5O2S — CID 140910783

IUPAC—
SMILESO[B]Oc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C6H5BF5O2S/c8-15(9,10,11,12)6-3-1-5(2-4-6)14-7-13/h1-4,13H
InChIKeyJLTZAXYTJQHNLX-UHFFFAOYSA-N
MW246.97 g/mol
LogP3.25
Rot. Bonds3

About CID 140910783

CID 140910783 (PubChem CID 140910783) has the molecular formula C6H5BF5O2S and a molecular weight of 246.97 g/mol.

Molecular Properties

Compound NameCID 140910783
PubChem CID140910783
Molecular FormulaC6H5BF5O2S
Molecular Weight246.97 g/mol
Exact Mass247.00
IUPAC Name—
SMILESO[B]Oc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C6H5BF5O2S/c8-15(9,10,11,12)6-3-1-5(2-4-6)14-7-13/h1-4,13H
InChIKeyJLTZAXYTJQHNLX-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.97
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140910783?
The IUPAC name of CID 140910783 (CID 140910783) is not available.
What is the SMILES notation for CID 140910783?
The canonical SMILES for CID 140910783 is O[B]Oc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of CID 140910783?
The InChIKey is JLTZAXYTJQHNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BF5O2S/c8-15(9,10,11,12)6-3-1-5(2-4-6)14-7-13/h1-4,13H.
What are the key properties of CID 140910783?
CID 140910783 has a molecular weight of 246.97 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140910783 is sourced from PubChem (CID 140910783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).