CID 163687069

C11H11BFNO — CID 163687069

IUPAC—
SMILES[B]c1cc(/C(N)=C/OC(=C)C)ccc1F
InChIInChI=1S/C11H11BFNO/c1-7(2)15-6-11(14)8-3-4-10(13)9(12)5-8/h3-6H,1,14H2,2H3/b11-6-
InChIKeySUBHIXGSAGFWPC-WDZFZDKYSA-N
MW203.02 g/mol
LogP1.43
Rot. Bonds3

About CID 163687069

CID 163687069 (PubChem CID 163687069) has the molecular formula C11H11BFNO and a molecular weight of 203.02 g/mol.

Molecular Properties

Compound NameCID 163687069
PubChem CID163687069
Molecular FormulaC11H11BFNO
Molecular Weight203.02 g/mol
Exact Mass203.09
IUPAC Name—
SMILES[B]c1cc(/C(N)=C/OC(=C)C)ccc1F
InChIInChI=1S/C11H11BFNO/c1-7(2)15-6-11(14)8-3-4-10(13)9(12)5-8/h3-6H,1,14H2,2H3/b11-6-
InChIKeySUBHIXGSAGFWPC-WDZFZDKYSA-N
XLogP1.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.02
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 163687069?
The IUPAC name of CID 163687069 (CID 163687069) is not available.
What is the SMILES notation for CID 163687069?
The canonical SMILES for CID 163687069 is [B]c1cc(/C(N)=C/OC(=C)C)ccc1F.
What is the InChIKey of CID 163687069?
The InChIKey is SUBHIXGSAGFWPC-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H11BFNO/c1-7(2)15-6-11(14)8-3-4-10(13)9(12)5-8/h3-6H,1,14H2,2H3/b11-6-.
What are the key properties of CID 163687069?
CID 163687069 has a molecular weight of 203.02 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163687069 is sourced from PubChem (CID 163687069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).