CID 21037035

C10H14BF3N2O2 — CID 21037035

IUPAC—
SMILES[B]C(=O)N1CCC(C)(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14BF3N2O2/c1-9(6-15-7(17)10(12,13)14)2-4-16(5-3-9)8(11)18/h2-6H2,1H3,(H,15,17)
InChIKeySRIBTUYGSBECSN-UHFFFAOYSA-N
MW262.04 g/mol
LogP1.06
Rot. Bonds2

About CID 21037035

CID 21037035 (PubChem CID 21037035) has the molecular formula C10H14BF3N2O2 and a molecular weight of 262.04 g/mol.

Molecular Properties

Compound NameCID 21037035
PubChem CID21037035
Molecular FormulaC10H14BF3N2O2
Molecular Weight262.04 g/mol
Exact Mass262.11
IUPAC Name—
SMILES[B]C(=O)N1CCC(C)(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14BF3N2O2/c1-9(6-15-7(17)10(12,13)14)2-4-16(5-3-9)8(11)18/h2-6H2,1H3,(H,15,17)
InChIKeySRIBTUYGSBECSN-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.04
LogP ≤ 51.06
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 21037035?
The IUPAC name of CID 21037035 (CID 21037035) is not available.
What is the SMILES notation for CID 21037035?
The canonical SMILES for CID 21037035 is [B]C(=O)N1CCC(C)(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of CID 21037035?
The InChIKey is SRIBTUYGSBECSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BF3N2O2/c1-9(6-15-7(17)10(12,13)14)2-4-16(5-3-9)8(11)18/h2-6H2,1H3,(H,15,17).
What are the key properties of CID 21037035?
CID 21037035 has a molecular weight of 262.04 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21037035 is sourced from PubChem (CID 21037035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).