CID 147053448

C7H13BF3NO — CID 147053448

IUPAC—
SMILES[B]CC(C)NCC(CO)C(F)(F)F
InChIInChI=1S/C7H13BF3NO/c1-5(2-8)12-3-6(4-13)7(9,10)11/h5-6,12-13H,2-4H2,1H3
InChIKeyRZYBMMIKICEXSV-UHFFFAOYSA-N
MW194.99 g/mol
LogP0.72
Rot. Bonds5

About CID 147053448

CID 147053448 (PubChem CID 147053448) has the molecular formula C7H13BF3NO and a molecular weight of 194.99 g/mol.

Molecular Properties

Compound NameCID 147053448
PubChem CID147053448
Molecular FormulaC7H13BF3NO
Molecular Weight194.99 g/mol
Exact Mass195.10
IUPAC Name—
SMILES[B]CC(C)NCC(CO)C(F)(F)F
InChIInChI=1S/C7H13BF3NO/c1-5(2-8)12-3-6(4-13)7(9,10)11/h5-6,12-13H,2-4H2,1H3
InChIKeyRZYBMMIKICEXSV-UHFFFAOYSA-N
XLogP0.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.99
LogP ≤ 50.72
H-Bond Donors ≤ 52
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 147053448?
The IUPAC name of CID 147053448 (CID 147053448) is not available.
What is the SMILES notation for CID 147053448?
The canonical SMILES for CID 147053448 is [B]CC(C)NCC(CO)C(F)(F)F.
What is the InChIKey of CID 147053448?
The InChIKey is RZYBMMIKICEXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BF3NO/c1-5(2-8)12-3-6(4-13)7(9,10)11/h5-6,12-13H,2-4H2,1H3.
What are the key properties of CID 147053448?
CID 147053448 has a molecular weight of 194.99 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147053448 is sourced from PubChem (CID 147053448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).