CID 143868292

C15H26BF2NO — CID 143868292

IUPAC—
SMILESCC.CCC.CCC.[B]C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C7H4BF2NO.2C3H8.C2H6/c8-7(12)11-4-1-2-5(9)6(10)3-4;2*1-3-2;1-2/h1-3H,(H,11,12);2*3H2,1-2H3;1-2H3
InChIKeyXJTWQUOIGVEKRO-UHFFFAOYSA-N
MW285.19 g/mol
LogP5.52
Rot. Bonds1

About CID 143868292

CID 143868292 (PubChem CID 143868292) has the molecular formula C15H26BF2NO and a molecular weight of 285.19 g/mol.

Molecular Properties

Compound NameCID 143868292
PubChem CID143868292
Molecular FormulaC15H26BF2NO
Molecular Weight285.19 g/mol
Exact Mass285.21
IUPAC Name—
SMILESCC.CCC.CCC.[B]C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C7H4BF2NO.2C3H8.C2H6/c8-7(12)11-4-1-2-5(9)6(10)3-4;2*1-3-2;1-2/h1-3H,(H,11,12);2*3H2,1-2H3;1-2H3
InChIKeyXJTWQUOIGVEKRO-UHFFFAOYSA-N
XLogP5.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.19
LogP ≤ 55.52
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 143868293
CID 143868293
N-(3,4-difluorophenyl)propanamide
CID 4285365
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane
CID 145466111
N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 3369312
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
N'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872

Frequently Asked Questions

What is the IUPAC name of CID 143868292?
The IUPAC name of CID 143868292 (CID 143868292) is not available.
What is the SMILES notation for CID 143868292?
The canonical SMILES for CID 143868292 is CC.CCC.CCC.[B]C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of CID 143868292?
The InChIKey is XJTWQUOIGVEKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BF2NO.2C3H8.C2H6/c8-7(12)11-4-1-2-5(9)6(10)3-4;2*1-3-2;1-2/h1-3H,(H,11,12);2*3H2,1-2H3;1-2H3.
What are the key properties of CID 143868292?
CID 143868292 has a molecular weight of 285.19 g/mol, XLogP of 5.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143868292 is sourced from PubChem (CID 143868292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).