CID 88924789

C18H14BFS — CID 88924789

IUPAC—
SMILES[B]c1ccc(C)c(Cc2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C18H14BFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3
InChIKeyOLHMJBBCINXFCQ-UHFFFAOYSA-N
MW292.19 g/mol
LogP4.25
Rot. Bonds3

About CID 88924789

CID 88924789 (PubChem CID 88924789) has the molecular formula C18H14BFS and a molecular weight of 292.19 g/mol.

Molecular Properties

Compound NameCID 88924789
PubChem CID88924789
Molecular FormulaC18H14BFS
Molecular Weight292.19 g/mol
Exact Mass292.09
IUPAC Name—
SMILES[B]c1ccc(C)c(Cc2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C18H14BFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3
InChIKeyOLHMJBBCINXFCQ-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 54.25
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 88924789?
The IUPAC name of CID 88924789 (CID 88924789) is not available.
What is the SMILES notation for CID 88924789?
The canonical SMILES for CID 88924789 is [B]c1ccc(C)c(Cc2ccc(-c3ccc(F)cc3)s2)c1.
What is the InChIKey of CID 88924789?
The InChIKey is OLHMJBBCINXFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3.
What are the key properties of CID 88924789?
CID 88924789 has a molecular weight of 292.19 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88924789 is sourced from PubChem (CID 88924789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).