CID 156729056

C8H11BFN — CID 156729056

IUPAC—
SMILESCC.[B]c1cncc(F)c1C
InChIInChI=1S/C6H5BFN.C2H6/c1-4-5(7)2-9-3-6(4)8;1-2/h2-3H,1H3;1-2H3
InChIKeyHTSKZCYRHKFEDQ-UHFFFAOYSA-N
MW150.99 g/mol
LogP1.35
Rot. Bonds

About CID 156729056

CID 156729056 (PubChem CID 156729056) has the molecular formula C8H11BFN and a molecular weight of 150.99 g/mol.

Molecular Properties

Compound NameCID 156729056
PubChem CID156729056
Molecular FormulaC8H11BFN
Molecular Weight150.99 g/mol
Exact Mass151.10
IUPAC Name—
SMILESCC.[B]c1cncc(F)c1C
InChIInChI=1S/C6H5BFN.C2H6/c1-4-5(7)2-9-3-6(4)8;1-2/h2-3H,1H3;1-2H3
InChIKeyHTSKZCYRHKFEDQ-UHFFFAOYSA-N
XLogP1.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.99
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 156729056?
The IUPAC name of CID 156729056 (CID 156729056) is not available.
What is the SMILES notation for CID 156729056?
The canonical SMILES for CID 156729056 is CC.[B]c1cncc(F)c1C.
What is the InChIKey of CID 156729056?
The InChIKey is HTSKZCYRHKFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BFN.C2H6/c1-4-5(7)2-9-3-6(4)8;1-2/h2-3H,1H3;1-2H3.
What are the key properties of CID 156729056?
CID 156729056 has a molecular weight of 150.99 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156729056 is sourced from PubChem (CID 156729056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).