CID 143901470

C12H11BF3NO — CID 143901470

IUPAC—
SMILES[B]C1(C(F)(F)F)C=CC=CC(C2CNC(=O)C2)=C1
InChIInChI=1S/C12H11BF3NO/c13-11(12(14,15)16)4-2-1-3-8(6-11)9-5-10(18)17-7-9/h1-4,6,9H,5,7H2,(H,17,18)
InChIKeyQCXJIIDNYLYFHW-UHFFFAOYSA-N
MW253.03 g/mol
LogP2.06
Rot. Bonds1

About CID 143901470

CID 143901470 (PubChem CID 143901470) has the molecular formula C12H11BF3NO and a molecular weight of 253.03 g/mol.

Molecular Properties

Compound NameCID 143901470
PubChem CID143901470
Molecular FormulaC12H11BF3NO
Molecular Weight253.03 g/mol
Exact Mass253.09
IUPAC Name—
SMILES[B]C1(C(F)(F)F)C=CC=CC(C2CNC(=O)C2)=C1
InChIInChI=1S/C12H11BF3NO/c13-11(12(14,15)16)4-2-1-3-8(6-11)9-5-10(18)17-7-9/h1-4,6,9H,5,7H2,(H,17,18)
InChIKeyQCXJIIDNYLYFHW-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.03
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 143901470?
The IUPAC name of CID 143901470 (CID 143901470) is not available.
What is the SMILES notation for CID 143901470?
The canonical SMILES for CID 143901470 is [B]C1(C(F)(F)F)C=CC=CC(C2CNC(=O)C2)=C1.
What is the InChIKey of CID 143901470?
The InChIKey is QCXJIIDNYLYFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BF3NO/c13-11(12(14,15)16)4-2-1-3-8(6-11)9-5-10(18)17-7-9/h1-4,6,9H,5,7H2,(H,17,18).
What are the key properties of CID 143901470?
CID 143901470 has a molecular weight of 253.03 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143901470 is sourced from PubChem (CID 143901470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).