CID 155731306

C8H8BF — CID 155731306

IUPAC—
SMILES[B]Cc1cccc(F)c1C
InChIInChI=1S/C8H8BF/c1-6-7(5-9)3-2-4-8(6)10/h2-4H,5H2,1H3
InChIKeyGTLHMDKXXVMPNP-UHFFFAOYSA-N
MW133.96 g/mol
LogP1.80
Rot. Bonds1

About CID 155731306

CID 155731306 (PubChem CID 155731306) has the molecular formula C8H8BF and a molecular weight of 133.96 g/mol.

Molecular Properties

Compound NameCID 155731306
PubChem CID155731306
Molecular FormulaC8H8BF
Molecular Weight133.96 g/mol
Exact Mass134.07
IUPAC Name—
SMILES[B]Cc1cccc(F)c1C
InChIInChI=1S/C8H8BF/c1-6-7(5-9)3-2-4-8(6)10/h2-4H,5H2,1H3
InChIKeyGTLHMDKXXVMPNP-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.96
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 155731306?
The IUPAC name of CID 155731306 (CID 155731306) is not available.
What is the SMILES notation for CID 155731306?
The canonical SMILES for CID 155731306 is [B]Cc1cccc(F)c1C.
What is the InChIKey of CID 155731306?
The InChIKey is GTLHMDKXXVMPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BF/c1-6-7(5-9)3-2-4-8(6)10/h2-4H,5H2,1H3.
What are the key properties of CID 155731306?
CID 155731306 has a molecular weight of 133.96 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155731306 is sourced from PubChem (CID 155731306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).