CID 163675234

C10H11BF3N3O — CID 163675234

IUPAC—
SMILES[B]c1nn(CC(F)(F)F)c2c1CN(C(C)=O)CC2
InChIInChI=1S/C10H11BF3N3O/c1-6(18)16-3-2-8-7(4-16)9(11)15-17(8)5-10(12,13)14/h2-5H2,1H3
InChIKeyBVTBTADWABHWFA-UHFFFAOYSA-N
MW257.02 g/mol
LogP0.14
Rot. Bonds1

About CID 163675234

CID 163675234 (PubChem CID 163675234) has the molecular formula C10H11BF3N3O and a molecular weight of 257.02 g/mol.

Molecular Properties

Compound NameCID 163675234
PubChem CID163675234
Molecular FormulaC10H11BF3N3O
Molecular Weight257.02 g/mol
Exact Mass257.09
IUPAC Name—
SMILES[B]c1nn(CC(F)(F)F)c2c1CN(C(C)=O)CC2
InChIInChI=1S/C10H11BF3N3O/c1-6(18)16-3-2-8-7(4-16)9(11)15-17(8)5-10(12,13)14/h2-5H2,1H3
InChIKeyBVTBTADWABHWFA-UHFFFAOYSA-N
XLogP0.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.02
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 163675234?
The IUPAC name of CID 163675234 (CID 163675234) is not available.
What is the SMILES notation for CID 163675234?
The canonical SMILES for CID 163675234 is [B]c1nn(CC(F)(F)F)c2c1CN(C(C)=O)CC2.
What is the InChIKey of CID 163675234?
The InChIKey is BVTBTADWABHWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BF3N3O/c1-6(18)16-3-2-8-7(4-16)9(11)15-17(8)5-10(12,13)14/h2-5H2,1H3.
What are the key properties of CID 163675234?
CID 163675234 has a molecular weight of 257.02 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163675234 is sourced from PubChem (CID 163675234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).