CID 89023460

C6B2F2N2S — CID 89023460

IUPAC—
SMILES[B]c1c(F)c(F)c([B])c2nsnc12
InChIInChI=1S/C6B2F2N2S/c7-1-3(9)4(10)2(8)6-5(1)11-13-12-6
InChIKeyFYRYJXAHTBUHPN-UHFFFAOYSA-N
MW191.77 g/mol
LogP-0.44
Rot. Bonds

About CID 89023460

CID 89023460 (PubChem CID 89023460) has the molecular formula C6B2F2N2S and a molecular weight of 191.77 g/mol.

Molecular Properties

Compound NameCID 89023460
PubChem CID89023460
Molecular FormulaC6B2F2N2S
Molecular Weight191.77 g/mol
Exact Mass191.99
IUPAC Name—
SMILES[B]c1c(F)c(F)c([B])c2nsnc12
InChIInChI=1S/C6B2F2N2S/c7-1-3(9)4(10)2(8)6-5(1)11-13-12-6
InChIKeyFYRYJXAHTBUHPN-UHFFFAOYSA-N
XLogP-0.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.77
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
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 89023460?
The IUPAC name of CID 89023460 (CID 89023460) is not available.
What is the SMILES notation for CID 89023460?
The canonical SMILES for CID 89023460 is [B]c1c(F)c(F)c([B])c2nsnc12.
What is the InChIKey of CID 89023460?
The InChIKey is FYRYJXAHTBUHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6B2F2N2S/c7-1-3(9)4(10)2(8)6-5(1)11-13-12-6.
What are the key properties of CID 89023460?
CID 89023460 has a molecular weight of 191.77 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89023460 is sourced from PubChem (CID 89023460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).