CID 21341950

C7H7BFN — CID 21341950

IUPAC—
SMILES[B]c1ccc(NC)c(F)c1
InChIInChI=1S/C7H7BFN/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyYMYMVXIDYIBPTL-UHFFFAOYSA-N
MW134.95 g/mol
LogP0.66
Rot. Bonds1

About CID 21341950

CID 21341950 (PubChem CID 21341950) has the molecular formula C7H7BFN and a molecular weight of 134.95 g/mol.

Molecular Properties

Compound NameCID 21341950
PubChem CID21341950
Molecular FormulaC7H7BFN
Molecular Weight134.95 g/mol
Exact Mass135.07
IUPAC Name—
SMILES[B]c1ccc(NC)c(F)c1
InChIInChI=1S/C7H7BFN/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyYMYMVXIDYIBPTL-UHFFFAOYSA-N
XLogP0.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.95
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 21341950?
The IUPAC name of CID 21341950 (CID 21341950) is not available.
What is the SMILES notation for CID 21341950?
The canonical SMILES for CID 21341950 is [B]c1ccc(NC)c(F)c1.
What is the InChIKey of CID 21341950?
The InChIKey is YMYMVXIDYIBPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BFN/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3.
What are the key properties of CID 21341950?
CID 21341950 has a molecular weight of 134.95 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21341950 is sourced from PubChem (CID 21341950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).