cyclopenten-1-ylmethanone tetrafluoroborate

C6H7BF4O — CID 54687834

IUPACcyclopenten-1-ylmethanone tetrafluoroborate
SMILESF[B-](F)(F)F.O=[C+]C1=CCCC1
InChIInChI=1S/C6H7O.BF4/c7-5-6-3-1-2-4-6;2-1(3,4)5/h3H,1-2,4H2;/q+1;-1
InChIKeyBMUQKXDSDXABFM-UHFFFAOYSA-N
MW181.93 g/mol
LogP2.51
Rot. Bonds1

About cyclopenten-1-ylmethanone tetrafluoroborate

cyclopenten-1-ylmethanone tetrafluoroborate (PubChem CID 54687834) has the molecular formula C6H7BF4O and a molecular weight of 181.93 g/mol. Its IUPAC name is cyclopenten-1-ylmethanone tetrafluoroborate.

Molecular Properties

Compound Namecyclopenten-1-ylmethanone tetrafluoroborate
PubChem CID54687834
Molecular FormulaC6H7BF4O
Molecular Weight181.93 g/mol
Exact Mass182.05
IUPAC Namecyclopenten-1-ylmethanone tetrafluoroborate
SMILESF[B-](F)(F)F.O=[C+]C1=CCCC1
InChIInChI=1S/C6H7O.BF4/c7-5-6-3-1-2-4-6;2-1(3,4)5/h3H,1-2,4H2;/q+1;-1
InChIKeyBMUQKXDSDXABFM-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.93
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopenten-1-ylmethanone tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-ylmethanone tetrafluoroborate?
The IUPAC name of cyclopenten-1-ylmethanone tetrafluoroborate (CID 54687834) is cyclopenten-1-ylmethanone tetrafluoroborate.
What is the SMILES notation for cyclopenten-1-ylmethanone tetrafluoroborate?
The canonical SMILES for cyclopenten-1-ylmethanone tetrafluoroborate is F[B-](F)(F)F.O=[C+]C1=CCCC1.
What is the InChIKey of cyclopenten-1-ylmethanone tetrafluoroborate?
The InChIKey is BMUQKXDSDXABFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O.BF4/c7-5-6-3-1-2-4-6;2-1(3,4)5/h3H,1-2,4H2;/q+1;-1.
What are the key properties of cyclopenten-1-ylmethanone tetrafluoroborate?
cyclopenten-1-ylmethanone tetrafluoroborate has a molecular weight of 181.93 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-ylmethanone tetrafluoroborate is sourced from PubChem (CID 54687834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).