CID 88252763

C11H10BFN2O — CID 88252763

IUPAC—
SMILES[B]C1=CC(=C(C(=C1)F)C#N)N[C@H]2CCOC2
InChIInChI=1S/C11H10BFN2O/c12-7-3-10(13)9(5-14)11(4-7)15-8-1-2-16-6-8/h3-4,8,15H,1-2,6H2/t8-/m0/s1
InChIKeyGVFJSDNFOFTAAX-QMMMGPOBSA-N
MW216.02 g/mol
LogP—
Rot. Bonds2

About CID 88252763

CID 88252763 (PubChem CID 88252763) has the molecular formula C11H10BFN2O and a molecular weight of 216.02 g/mol.

Molecular Properties

Compound NameCID 88252763
PubChem CID88252763
Molecular FormulaC11H10BFN2O
Molecular Weight216.02 g/mol
Exact Mass216.09
IUPAC Name—
SMILES[B]C1=CC(=C(C(=C1)F)C#N)N[C@H]2CCOC2
InChIInChI=1S/C11H10BFN2O/c12-7-3-10(13)9(5-14)11(4-7)15-8-1-2-16-6-8/h3-4,8,15H,1-2,6H2/t8-/m0/s1
InChIKeyGVFJSDNFOFTAAX-QMMMGPOBSA-N
XLogP—
TPSA45.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity293

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 88252763 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-6-morpholinobenzonitrile
CID 654627
2-[(Tetrahydro-2-furanylmethyl)amino]isophthalonitrile
CID 16413661
4-[(2-Methoxyethyl)amino]benzonitrile
CID 28411076
2-Fluoro-6-(2-hydroxyethylamino)benzonitrile
CID 2804365
2-(2,2-Dimethoxyethylamino)-6-fluorobenzonitrile
CID 2805533
2-Fluoro-6-[3-(oxolan-3-ylmethoxy)propylamino]benzonitrile
CID 72003508
3,5-Difluoro-4-[3-(oxolan-3-ylmethoxy)propylamino]benzonitrile
CID 72003510
2-Fluoro-6-[3-(oxan-4-ylmethoxy)propylamino]benzonitrile
CID 72003542
3-Fluoro-4-[3-(oxolan-3-ylmethoxy)propylamino]benzonitrile
CID 72128326
N-(3-fluoro-2-methylphenyl)-2-methyloxolan-3-amine
CID 75525398
2-[[(2R)-oxolan-2-yl]methylamino]benzene-1,3-dicarbonitrile
CID 40853010
2-Fluoro-6-[(1-methoxypropan-2-yl)amino]benzonitrile
CID 60662358

Frequently Asked Questions

What is the IUPAC name of CID 88252763?
The IUPAC name of CID 88252763 (CID 88252763) is not available.
What is the SMILES notation for CID 88252763?
The canonical SMILES for CID 88252763 is [B]C1=CC(=C(C(=C1)F)C#N)N[C@H]2CCOC2.
What is the InChIKey of CID 88252763?
The InChIKey is GVFJSDNFOFTAAX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10BFN2O/c12-7-3-10(13)9(5-14)11(4-7)15-8-1-2-16-6-8/h3-4,8,15H,1-2,6H2/t8-/m0/s1.
What are the key properties of CID 88252763?
CID 88252763 has a molecular weight of 216.02 g/mol, XLogP of not available, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88252763 is sourced from PubChem (CID 88252763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).