CID 174524249

C13H24BF4N2 — CID 174524249

IUPAC—
SMILESCCCCN1CN(CC)c2ccccc21.F.F.F.F.[B]
InChIInChI=1S/C13H20N2.B.4FH/c1-3-5-10-15-11-14(4-2)12-8-6-7-9-13(12)15;;;;;/h6-9H,3-5,10-11H2,1-2H3;;4*1H
InChIKeyNCNUMMHKNWTXDJ-UHFFFAOYSA-N
MW295.15 g/mol
LogP3.32
Rot. Bonds4

About CID 174524249

CID 174524249 (PubChem CID 174524249) has the molecular formula C13H24BF4N2 and a molecular weight of 295.15 g/mol.

Molecular Properties

Compound NameCID 174524249
PubChem CID174524249
Molecular FormulaC13H24BF4N2
Molecular Weight295.15 g/mol
Exact Mass295.20
IUPAC Name—
SMILESCCCCN1CN(CC)c2ccccc21.F.F.F.F.[B]
InChIInChI=1S/C13H20N2.B.4FH/c1-3-5-10-15-11-14(4-2)12-8-6-7-9-13(12)15;;;;;/h6-9H,3-5,10-11H2,1-2H3;;4*1H
InChIKeyNCNUMMHKNWTXDJ-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 174524249?
The IUPAC name of CID 174524249 (CID 174524249) is not available.
What is the SMILES notation for CID 174524249?
The canonical SMILES for CID 174524249 is CCCCN1CN(CC)c2ccccc21.F.F.F.F.[B].
What is the InChIKey of CID 174524249?
The InChIKey is NCNUMMHKNWTXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.B.4FH/c1-3-5-10-15-11-14(4-2)12-8-6-7-9-13(12)15;;;;;/h6-9H,3-5,10-11H2,1-2H3;;4*1H.
What are the key properties of CID 174524249?
CID 174524249 has a molecular weight of 295.15 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174524249 is sourced from PubChem (CID 174524249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).