CID 174000824

C6B4BrF — CID 174000824

IUPAC—
SMILES[B]c1c([B])c(Br)c([B])c([B])c1F
InChIInChI=1S/C6B4BrF/c7-1-3(9)6(12)4(10)2(8)5(1)11
InChIKeyFMAFKWBSCSLWND-UHFFFAOYSA-N
MW214.22 g/mol
LogP-2.24
Rot. Bonds

About CID 174000824

CID 174000824 (PubChem CID 174000824) has the molecular formula C6B4BrF and a molecular weight of 214.22 g/mol.

Molecular Properties

Compound NameCID 174000824
PubChem CID174000824
Molecular FormulaC6B4BrF
Molecular Weight214.22 g/mol
Exact Mass213.95
IUPAC Name—
SMILES[B]c1c([B])c(Br)c([B])c([B])c1F
InChIInChI=1S/C6B4BrF/c7-1-3(9)6(12)4(10)2(8)5(1)11
InChIKeyFMAFKWBSCSLWND-UHFFFAOYSA-N
XLogP-2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-2.24
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 174000824?
The IUPAC name of CID 174000824 (CID 174000824) is not available.
What is the SMILES notation for CID 174000824?
The canonical SMILES for CID 174000824 is [B]c1c([B])c(Br)c([B])c([B])c1F.
What is the InChIKey of CID 174000824?
The InChIKey is FMAFKWBSCSLWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6B4BrF/c7-1-3(9)6(12)4(10)2(8)5(1)11.
What are the key properties of CID 174000824?
CID 174000824 has a molecular weight of 214.22 g/mol, XLogP of -2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174000824 is sourced from PubChem (CID 174000824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).