CID 172615660

C8H11BFN — CID 172615660

IUPAC—
SMILESCC.[B]c1ccnc(C)c1F
InChIInChI=1S/C6H5BFN.C2H6/c1-4-6(8)5(7)2-3-9-4;1-2/h2-3H,1H3;1-2H3
InChIKeyGUAMRQKAUPUINB-UHFFFAOYSA-N
MW150.99 g/mol
LogP1.35
Rot. Bonds

About CID 172615660

CID 172615660 (PubChem CID 172615660) has the molecular formula C8H11BFN and a molecular weight of 150.99 g/mol.

Molecular Properties

Compound NameCID 172615660
PubChem CID172615660
Molecular FormulaC8H11BFN
Molecular Weight150.99 g/mol
Exact Mass151.10
IUPAC Name—
SMILESCC.[B]c1ccnc(C)c1F
InChIInChI=1S/C6H5BFN.C2H6/c1-4-6(8)5(7)2-3-9-4;1-2/h2-3H,1H3;1-2H3
InChIKeyGUAMRQKAUPUINB-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 172615660?
The IUPAC name of CID 172615660 (CID 172615660) is not available.
What is the SMILES notation for CID 172615660?
The canonical SMILES for CID 172615660 is CC.[B]c1ccnc(C)c1F.
What is the InChIKey of CID 172615660?
The InChIKey is GUAMRQKAUPUINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BFN.C2H6/c1-4-6(8)5(7)2-3-9-4;1-2/h2-3H,1H3;1-2H3.
What are the key properties of CID 172615660?
CID 172615660 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 172615660 is sourced from PubChem (CID 172615660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).