CID 167462330

C7H5BClF — CID 167462330

IUPAC—
SMILES[B]Cc1c(F)cccc1Cl
InChIInChI=1S/C7H5BClF/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKeyHBIAGTVREGRHCO-UHFFFAOYSA-N
MW154.38 g/mol
LogP2.15
Rot. Bonds1

About CID 167462330

CID 167462330 (PubChem CID 167462330) has the molecular formula C7H5BClF and a molecular weight of 154.38 g/mol.

Molecular Properties

Compound NameCID 167462330
PubChem CID167462330
Molecular FormulaC7H5BClF
Molecular Weight154.38 g/mol
Exact Mass154.02
IUPAC Name—
SMILES[B]Cc1c(F)cccc1Cl
InChIInChI=1S/C7H5BClF/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKeyHBIAGTVREGRHCO-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 60628558
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CID 6404599
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
2-[(2-chloro-6-fluorophenyl)methyl]oxirane
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1-(2-chloro-6-fluorophenyl)-4-(dimethylamino)butan-2-one
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Frequently Asked Questions

What is the IUPAC name of CID 167462330?
The IUPAC name of CID 167462330 (CID 167462330) is not available.
What is the SMILES notation for CID 167462330?
The canonical SMILES for CID 167462330 is [B]Cc1c(F)cccc1Cl.
What is the InChIKey of CID 167462330?
The InChIKey is HBIAGTVREGRHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BClF/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2.
What are the key properties of CID 167462330?
CID 167462330 has a molecular weight of 154.38 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167462330 is sourced from PubChem (CID 167462330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).