CID 88903280

C5H6BF2NO — CID 88903280

IUPAC—
SMILES[B]C(F)(F)C(=O)NCC=C
InChIInChI=1S/C5H6BF2NO/c1-2-3-9-4(10)5(6,7)8/h2H,1,3H2,(H,9,10)
InChIKeyBFVMJLZFGVCMBQ-UHFFFAOYSA-N
MW144.92 g/mol
LogP0.05
Rot. Bonds3

About CID 88903280

CID 88903280 (PubChem CID 88903280) has the molecular formula C5H6BF2NO and a molecular weight of 144.92 g/mol.

Molecular Properties

Compound NameCID 88903280
PubChem CID88903280
Molecular FormulaC5H6BF2NO
Molecular Weight144.92 g/mol
Exact Mass145.05
IUPAC Name—
SMILES[B]C(F)(F)C(=O)NCC=C
InChIInChI=1S/C5H6BF2NO/c1-2-3-9-4(10)5(6,7)8/h2H,1,3H2,(H,9,10)
InChIKeyBFVMJLZFGVCMBQ-UHFFFAOYSA-N
XLogP0.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.92
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88903280?
The IUPAC name of CID 88903280 (CID 88903280) is not available.
What is the SMILES notation for CID 88903280?
The canonical SMILES for CID 88903280 is [B]C(F)(F)C(=O)NCC=C.
What is the InChIKey of CID 88903280?
The InChIKey is BFVMJLZFGVCMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BF2NO/c1-2-3-9-4(10)5(6,7)8/h2H,1,3H2,(H,9,10).
What are the key properties of CID 88903280?
CID 88903280 has a molecular weight of 144.92 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88903280 is sourced from PubChem (CID 88903280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).