CID 87277241

C6H2BBrF2 — CID 87277241

IUPAC—
SMILES[B]c1cc(F)c(Br)cc1F
InChIInChI=1S/C6H2BBrF2/c7-3-1-6(10)4(8)2-5(3)9/h1-2H
InChIKeyYMRLLKMRNZSJCZ-UHFFFAOYSA-N
MW202.79 g/mol
LogP1.52
Rot. Bonds

About CID 87277241

CID 87277241 (PubChem CID 87277241) has the molecular formula C6H2BBrF2 and a molecular weight of 202.79 g/mol.

Molecular Properties

Compound NameCID 87277241
PubChem CID87277241
Molecular FormulaC6H2BBrF2
Molecular Weight202.79 g/mol
Exact Mass201.94
IUPAC Name—
SMILES[B]c1cc(F)c(Br)cc1F
InChIInChI=1S/C6H2BBrF2/c7-3-1-6(10)4(8)2-5(3)9/h1-2H
InChIKeyYMRLLKMRNZSJCZ-UHFFFAOYSA-N
XLogP1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.79
LogP ≤ 51.52
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'}

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Related Compounds

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CID 119017691
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CID 90298794
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Frequently Asked Questions

What is the IUPAC name of CID 87277241?
The IUPAC name of CID 87277241 (CID 87277241) is not available.
What is the SMILES notation for CID 87277241?
The canonical SMILES for CID 87277241 is [B]c1cc(F)c(Br)cc1F.
What is the InChIKey of CID 87277241?
The InChIKey is YMRLLKMRNZSJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BBrF2/c7-3-1-6(10)4(8)2-5(3)9/h1-2H.
What are the key properties of CID 87277241?
CID 87277241 has a molecular weight of 202.79 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87277241 is sourced from PubChem (CID 87277241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).