CID 18458589

C2BF3 — CID 18458589

IUPAC—
SMILES[B]C(F)=C(F)F
InChIInChI=1S/C2BF3/c3-1(4)2(5)6
InChIKeyHZEKCUUSYSXIRX-UHFFFAOYSA-N
MW91.83 g/mol
LogP1.19
Rot. Bonds

About CID 18458589

CID 18458589 (PubChem CID 18458589) has the molecular formula C2BF3 and a molecular weight of 91.83 g/mol.

Molecular Properties

Compound NameCID 18458589
PubChem CID18458589
Molecular FormulaC2BF3
Molecular Weight91.83 g/mol
Exact Mass92.00
IUPAC Name—
SMILES[B]C(F)=C(F)F
InChIInChI=1S/C2BF3/c3-1(4)2(5)6
InChIKeyHZEKCUUSYSXIRX-UHFFFAOYSA-N
XLogP1.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.83
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 18458589?
The IUPAC name of CID 18458589 (CID 18458589) is not available.
What is the SMILES notation for CID 18458589?
The canonical SMILES for CID 18458589 is [B]C(F)=C(F)F.
What is the InChIKey of CID 18458589?
The InChIKey is HZEKCUUSYSXIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2BF3/c3-1(4)2(5)6.
What are the key properties of CID 18458589?
CID 18458589 has a molecular weight of 91.83 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18458589 is sourced from PubChem (CID 18458589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).