CID 169190680

C11H18BF2NO — CID 169190680

IUPAC—
SMILES[B]C1(NC2CCCOC2)CCC(F)(F)CC1
InChIInChI=1S/C11H18BF2NO/c12-10(3-5-11(13,14)6-4-10)15-9-2-1-7-16-8-9/h9,15H,1-8H2
InChIKeyKKMNMOLYSFTOSD-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.83
Rot. Bonds2

About CID 169190680

CID 169190680 (PubChem CID 169190680) has the molecular formula C11H18BF2NO and a molecular weight of 229.08 g/mol.

Molecular Properties

Compound NameCID 169190680
PubChem CID169190680
Molecular FormulaC11H18BF2NO
Molecular Weight229.08 g/mol
Exact Mass229.14
IUPAC Name—
SMILES[B]C1(NC2CCCOC2)CCC(F)(F)CC1
InChIInChI=1S/C11H18BF2NO/c12-10(3-5-11(13,14)6-4-10)15-9-2-1-7-16-8-9/h9,15H,1-8H2
InChIKeyKKMNMOLYSFTOSD-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.83
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 169190680?
The IUPAC name of CID 169190680 (CID 169190680) is not available.
What is the SMILES notation for CID 169190680?
The canonical SMILES for CID 169190680 is [B]C1(NC2CCCOC2)CCC(F)(F)CC1.
What is the InChIKey of CID 169190680?
The InChIKey is KKMNMOLYSFTOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BF2NO/c12-10(3-5-11(13,14)6-4-10)15-9-2-1-7-16-8-9/h9,15H,1-8H2.
What are the key properties of CID 169190680?
CID 169190680 has a molecular weight of 229.08 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169190680 is sourced from PubChem (CID 169190680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).