CID 75412071

C3H2BF3K — CID 75412071

IUPAC—
SMILES[B-]C(CF)=C(F)F.[K+]
InChIInChI=1S/C3H2BF3.K/c4-2(1-5)3(6)7;/h1H2;/q-1;+1
InChIKeyHQMJRYJXESMCAD-UHFFFAOYSA-N
MW144.95 g/mol
LogP-1.76
Rot. Bonds1

About CID 75412071

CID 75412071 (PubChem CID 75412071) has the molecular formula C3H2BF3K and a molecular weight of 144.95 g/mol.

Molecular Properties

Compound NameCID 75412071
PubChem CID75412071
Molecular FormulaC3H2BF3K
Molecular Weight144.95 g/mol
Exact Mass144.98
IUPAC Name—
SMILES[B-]C(CF)=C(F)F.[K+]
InChIInChI=1S/C3H2BF3.K/c4-2(1-5)3(6)7;/h1H2;/q-1;+1
InChIKeyHQMJRYJXESMCAD-UHFFFAOYSA-N
XLogP-1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.95
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 75412071?
The IUPAC name of CID 75412071 (CID 75412071) is not available.
What is the SMILES notation for CID 75412071?
The canonical SMILES for CID 75412071 is [B-]C(CF)=C(F)F.[K+].
What is the InChIKey of CID 75412071?
The InChIKey is HQMJRYJXESMCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BF3.K/c4-2(1-5)3(6)7;/h1H2;/q-1;+1.
What are the key properties of CID 75412071?
CID 75412071 has a molecular weight of 144.95 g/mol, XLogP of -1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 75412071 is sourced from PubChem (CID 75412071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).