CID 163796495

C10H6BF2NO2 — CID 163796495

IUPAC—
SMILES[B]c1cc(F)c(-c2cc(CO)no2)c(F)c1
InChIInChI=1S/C10H6BF2NO2/c11-5-1-7(12)10(8(13)2-5)9-3-6(4-15)14-16-9/h1-3,15H,4H2
InChIKeyOLDGBXMFDQWULS-UHFFFAOYSA-N
MW220.97 g/mol
LogP0.91
Rot. Bonds2

About CID 163796495

CID 163796495 (PubChem CID 163796495) has the molecular formula C10H6BF2NO2 and a molecular weight of 220.97 g/mol.

Molecular Properties

Compound NameCID 163796495
PubChem CID163796495
Molecular FormulaC10H6BF2NO2
Molecular Weight220.97 g/mol
Exact Mass221.05
IUPAC Name—
SMILES[B]c1cc(F)c(-c2cc(CO)no2)c(F)c1
InChIInChI=1S/C10H6BF2NO2/c11-5-1-7(12)10(8(13)2-5)9-3-6(4-15)14-16-9/h1-3,15H,4H2
InChIKeyOLDGBXMFDQWULS-UHFFFAOYSA-N
XLogP0.91
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.97
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 163796495?
The IUPAC name of CID 163796495 (CID 163796495) is not available.
What is the SMILES notation for CID 163796495?
The canonical SMILES for CID 163796495 is [B]c1cc(F)c(-c2cc(CO)no2)c(F)c1.
What is the InChIKey of CID 163796495?
The InChIKey is OLDGBXMFDQWULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BF2NO2/c11-5-1-7(12)10(8(13)2-5)9-3-6(4-15)14-16-9/h1-3,15H,4H2.
What are the key properties of CID 163796495?
CID 163796495 has a molecular weight of 220.97 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163796495 is sourced from PubChem (CID 163796495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).