CID 174136424

C11H17BF2N2O — CID 174136424

IUPAC—
SMILES[B]C(F)(F)c1nn(CC(C)CO)cc1C(C)C
InChIInChI=1S/C11H17BF2N2O/c1-7(2)9-5-16(4-8(3)6-17)15-10(9)11(12,13)14/h5,7-8,17H,4,6H2,1-3H3
InChIKeyIZGSFHGIOASSRL-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.85
Rot. Bonds5

About CID 174136424

CID 174136424 (PubChem CID 174136424) has the molecular formula C11H17BF2N2O and a molecular weight of 242.08 g/mol.

Molecular Properties

Compound NameCID 174136424
PubChem CID174136424
Molecular FormulaC11H17BF2N2O
Molecular Weight242.08 g/mol
Exact Mass242.14
IUPAC Name—
SMILES[B]C(F)(F)c1nn(CC(C)CO)cc1C(C)C
InChIInChI=1S/C11H17BF2N2O/c1-7(2)9-5-16(4-8(3)6-17)15-10(9)11(12,13)14/h5,7-8,17H,4,6H2,1-3H3
InChIKeyIZGSFHGIOASSRL-UHFFFAOYSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.85
H-Bond Donors ≤ 51
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 174136424?
The IUPAC name of CID 174136424 (CID 174136424) is not available.
What is the SMILES notation for CID 174136424?
The canonical SMILES for CID 174136424 is [B]C(F)(F)c1nn(CC(C)CO)cc1C(C)C.
What is the InChIKey of CID 174136424?
The InChIKey is IZGSFHGIOASSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BF2N2O/c1-7(2)9-5-16(4-8(3)6-17)15-10(9)11(12,13)14/h5,7-8,17H,4,6H2,1-3H3.
What are the key properties of CID 174136424?
CID 174136424 has a molecular weight of 242.08 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174136424 is sourced from PubChem (CID 174136424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).