CID 89190072

C8H5BF6 — CID 89190072

IUPAC—
SMILES[B]C1C=C(C(F)(F)F)C=C(C(F)(F)F)C1
InChIInChI=1S/C8H5BF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-2,6H,3H2
InChIKeyNHEYPLBRFLSFSZ-UHFFFAOYSA-N
MW225.93 g/mol
LogP3.32
Rot. Bonds

About CID 89190072

CID 89190072 (PubChem CID 89190072) has the molecular formula C8H5BF6 and a molecular weight of 225.93 g/mol.

Molecular Properties

Compound NameCID 89190072
PubChem CID89190072
Molecular FormulaC8H5BF6
Molecular Weight225.93 g/mol
Exact Mass226.04
IUPAC Name—
SMILES[B]C1C=C(C(F)(F)F)C=C(C(F)(F)F)C1
InChIInChI=1S/C8H5BF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-2,6H,3H2
InChIKeyNHEYPLBRFLSFSZ-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.93
LogP ≤ 53.32
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 89190072?
The IUPAC name of CID 89190072 (CID 89190072) is not available.
What is the SMILES notation for CID 89190072?
The canonical SMILES for CID 89190072 is [B]C1C=C(C(F)(F)F)C=C(C(F)(F)F)C1.
What is the InChIKey of CID 89190072?
The InChIKey is NHEYPLBRFLSFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-2,6H,3H2.
What are the key properties of CID 89190072?
CID 89190072 has a molecular weight of 225.93 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89190072 is sourced from PubChem (CID 89190072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).