CID 143868293

C7H4BF2NO — CID 143868293

IUPAC—
SMILES[B]C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C7H4BF2NO/c8-7(12)11-4-1-2-5(9)6(10)3-4/h1-3H,(H,11,12)
InChIKeyPRBBCKLZCLAVCD-UHFFFAOYSA-N
MW166.92 g/mol
LogP1.67
Rot. Bonds1

About CID 143868293

CID 143868293 (PubChem CID 143868293) has the molecular formula C7H4BF2NO and a molecular weight of 166.92 g/mol.

Molecular Properties

Compound NameCID 143868293
PubChem CID143868293
Molecular FormulaC7H4BF2NO
Molecular Weight166.92 g/mol
Exact Mass167.04
IUPAC Name—
SMILES[B]C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C7H4BF2NO/c8-7(12)11-4-1-2-5(9)6(10)3-4/h1-3H,(H,11,12)
InChIKeyPRBBCKLZCLAVCD-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.92
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 143868292
CID 143868292
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
CID 887699
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)urea
CID 171854849
N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 3369312
N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 44998787
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549

Frequently Asked Questions

What is the IUPAC name of CID 143868293?
The IUPAC name of CID 143868293 (CID 143868293) is not available.
What is the SMILES notation for CID 143868293?
The canonical SMILES for CID 143868293 is [B]C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of CID 143868293?
The InChIKey is PRBBCKLZCLAVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BF2NO/c8-7(12)11-4-1-2-5(9)6(10)3-4/h1-3H,(H,11,12).
What are the key properties of CID 143868293?
CID 143868293 has a molecular weight of 166.92 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143868293 is sourced from PubChem (CID 143868293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).