CID 75412072

C3H2BF3- — CID 75412072

IUPAC—
SMILES[B-]C(CF)=C(F)F
InChIInChI=1S/C3H2BF3/c4-2(1-5)3(6)7/h1H2/q-1
InChIKeyVJZYWFJFQHKIQK-UHFFFAOYSA-N
MW105.85 g/mol
LogP1.23
Rot. Bonds1

About CID 75412072

CID 75412072 (PubChem CID 75412072) has the molecular formula C3H2BF3- and a molecular weight of 105.85 g/mol.

Molecular Properties

Compound NameCID 75412072
PubChem CID75412072
Molecular FormulaC3H2BF3-
Molecular Weight105.85 g/mol
Exact Mass106.02
IUPAC Name—
SMILES[B-]C(CF)=C(F)F
InChIInChI=1S/C3H2BF3/c4-2(1-5)3(6)7/h1H2/q-1
InChIKeyVJZYWFJFQHKIQK-UHFFFAOYSA-N
XLogP1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.85
LogP ≤ 51.23
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 75412072?
The IUPAC name of CID 75412072 (CID 75412072) is not available.
What is the SMILES notation for CID 75412072?
The canonical SMILES for CID 75412072 is [B-]C(CF)=C(F)F.
What is the InChIKey of CID 75412072?
The InChIKey is VJZYWFJFQHKIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BF3/c4-2(1-5)3(6)7/h1H2/q-1.
What are the key properties of CID 75412072?
CID 75412072 has a molecular weight of 105.85 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 75412072 is sourced from PubChem (CID 75412072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).