CID 21037016

C11H16BF3N2O2 — CID 21037016

IUPAC—
SMILES[B]C(=O)N1CCC(C(C)(C)NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H16BF3N2O2/c1-10(2,16-8(18)11(13,14)15)7-3-5-17(6-4-7)9(12)19/h7H,3-6H2,1-2H3,(H,16,18)
InChIKeyCVEBYMDLVJDENX-UHFFFAOYSA-N
MW276.07 g/mol
LogP1.44
Rot. Bonds2

About CID 21037016

CID 21037016 (PubChem CID 21037016) has the molecular formula C11H16BF3N2O2 and a molecular weight of 276.07 g/mol.

Molecular Properties

Compound NameCID 21037016
PubChem CID21037016
Molecular FormulaC11H16BF3N2O2
Molecular Weight276.07 g/mol
Exact Mass276.13
IUPAC Name—
SMILES[B]C(=O)N1CCC(C(C)(C)NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H16BF3N2O2/c1-10(2,16-8(18)11(13,14)15)7-3-5-17(6-4-7)9(12)19/h7H,3-6H2,1-2H3,(H,16,18)
InChIKeyCVEBYMDLVJDENX-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 21037016?
The IUPAC name of CID 21037016 (CID 21037016) is not available.
What is the SMILES notation for CID 21037016?
The canonical SMILES for CID 21037016 is [B]C(=O)N1CCC(C(C)(C)NC(=O)C(F)(F)F)CC1.
What is the InChIKey of CID 21037016?
The InChIKey is CVEBYMDLVJDENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BF3N2O2/c1-10(2,16-8(18)11(13,14)15)7-3-5-17(6-4-7)9(12)19/h7H,3-6H2,1-2H3,(H,16,18).
What are the key properties of CID 21037016?
CID 21037016 has a molecular weight of 276.07 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21037016 is sourced from PubChem (CID 21037016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).