CID 87823655

C14H7BF7 — CID 87823655

IUPAC—
SMILESCc1c(F)c(F)c([B]c2c(F)cc(F)c(C)c2F)c(F)c1F
InChIInChI=1S/C14H7BF7/c1-4-6(16)3-7(17)8(10(4)18)15-9-13(21)11(19)5(2)12(20)14(9)22/h3H,1-2H3
InChIKeyMYBDADIEBBVVKF-UHFFFAOYSA-N
MW319.01 g/mol
LogP2.93
Rot. Bonds2

About CID 87823655

CID 87823655 (PubChem CID 87823655) has the molecular formula C14H7BF7 and a molecular weight of 319.01 g/mol.

Molecular Properties

Compound NameCID 87823655
PubChem CID87823655
Molecular FormulaC14H7BF7
Molecular Weight319.01 g/mol
Exact Mass319.05
IUPAC Name—
SMILESCc1c(F)c(F)c([B]c2c(F)cc(F)c(C)c2F)c(F)c1F
InChIInChI=1S/C14H7BF7/c1-4-6(16)3-7(17)8(10(4)18)15-9-13(21)11(19)5(2)12(20)14(9)22/h3H,1-2H3
InChIKeyMYBDADIEBBVVKF-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.01
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 87823655 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 87823655?
The IUPAC name of CID 87823655 (CID 87823655) is not available.
What is the SMILES notation for CID 87823655?
The canonical SMILES for CID 87823655 is Cc1c(F)c(F)c([B]c2c(F)cc(F)c(C)c2F)c(F)c1F.
What is the InChIKey of CID 87823655?
The InChIKey is MYBDADIEBBVVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BF7/c1-4-6(16)3-7(17)8(10(4)18)15-9-13(21)11(19)5(2)12(20)14(9)22/h3H,1-2H3.
What are the key properties of CID 87823655?
CID 87823655 has a molecular weight of 319.01 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87823655 is sourced from PubChem (CID 87823655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).