CID 174478426

C6H6BFP — CID 174478426

IUPAC—
SMILESFc1ccc(P)cc1.[B]
InChIInChI=1S/C6H6FP.B/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;
InChIKeyNAXOZINWZGQDAZ-UHFFFAOYSA-N
MW138.90 g/mol
LogP0.95
Rot. Bonds

About CID 174478426

CID 174478426 (PubChem CID 174478426) has the molecular formula C6H6BFP and a molecular weight of 138.90 g/mol.

Molecular Properties

Compound NameCID 174478426
PubChem CID174478426
Molecular FormulaC6H6BFP
Molecular Weight138.90 g/mol
Exact Mass139.03
IUPAC Name—
SMILESFc1ccc(P)cc1.[B]
InChIInChI=1S/C6H6FP.B/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;
InChIKeyNAXOZINWZGQDAZ-UHFFFAOYSA-N
XLogP0.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.90
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174478426?
The IUPAC name of CID 174478426 (CID 174478426) is not available.
What is the SMILES notation for CID 174478426?
The canonical SMILES for CID 174478426 is Fc1ccc(P)cc1.[B].
What is the InChIKey of CID 174478426?
The InChIKey is NAXOZINWZGQDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FP.B/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;.
What are the key properties of CID 174478426?
CID 174478426 has a molecular weight of 138.90 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174478426 is sourced from PubChem (CID 174478426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).