CID 174084806

C4H7BFN — CID 174084806

IUPAC—
SMILES[B]N1CCC(F)C1
InChIInChI=1S/C4H7BFN/c5-7-2-1-4(6)3-7/h4H,1-3H2
InChIKeyZWRNEXBRFOYNIZ-UHFFFAOYSA-N
MW98.92 g/mol
LogP0.11
Rot. Bonds

About CID 174084806

CID 174084806 (PubChem CID 174084806) has the molecular formula C4H7BFN and a molecular weight of 98.92 g/mol.

Molecular Properties

Compound NameCID 174084806
PubChem CID174084806
Molecular FormulaC4H7BFN
Molecular Weight98.92 g/mol
Exact Mass99.07
IUPAC Name—
SMILES[B]N1CCC(F)C1
InChIInChI=1S/C4H7BFN/c5-7-2-1-4(6)3-7/h4H,1-3H2
InChIKeyZWRNEXBRFOYNIZ-UHFFFAOYSA-N
XLogP0.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.92
LogP ≤ 50.11
H-Bond Donors ≤ 50
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 174084806?
The IUPAC name of CID 174084806 (CID 174084806) is not available.
What is the SMILES notation for CID 174084806?
The canonical SMILES for CID 174084806 is [B]N1CCC(F)C1.
What is the InChIKey of CID 174084806?
The InChIKey is ZWRNEXBRFOYNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BFN/c5-7-2-1-4(6)3-7/h4H,1-3H2.
What are the key properties of CID 174084806?
CID 174084806 has a molecular weight of 98.92 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174084806 is sourced from PubChem (CID 174084806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).