CID 158124284

C14H22BFN — CID 158124284

IUPAC—
SMILESCC.CC(C)(C)N1CCc2ccc(F)cc21.[B]
InChIInChI=1S/C12H16FN.C2H6.B/c1-12(2,3)14-7-6-9-4-5-10(13)8-11(9)14;1-2;/h4-5,8H,6-7H2,1-3H3;1-2H3;
InChIKeyRBPZFRVARFKBMF-UHFFFAOYSA-N
MW234.15 g/mol
LogP3.63
Rot. Bonds

About CID 158124284

CID 158124284 (PubChem CID 158124284) has the molecular formula C14H22BFN and a molecular weight of 234.15 g/mol.

Molecular Properties

Compound NameCID 158124284
PubChem CID158124284
Molecular FormulaC14H22BFN
Molecular Weight234.15 g/mol
Exact Mass234.18
IUPAC Name—
SMILESCC.CC(C)(C)N1CCc2ccc(F)cc21.[B]
InChIInChI=1S/C12H16FN.C2H6.B/c1-12(2,3)14-7-6-9-4-5-10(13)8-11(9)14;1-2;/h4-5,8H,6-7H2,1-3H3;1-2H3;
InChIKeyRBPZFRVARFKBMF-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.63
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 158124284?
The IUPAC name of CID 158124284 (CID 158124284) is not available.
What is the SMILES notation for CID 158124284?
The canonical SMILES for CID 158124284 is CC.CC(C)(C)N1CCc2ccc(F)cc21.[B].
What is the InChIKey of CID 158124284?
The InChIKey is RBPZFRVARFKBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN.C2H6.B/c1-12(2,3)14-7-6-9-4-5-10(13)8-11(9)14;1-2;/h4-5,8H,6-7H2,1-3H3;1-2H3;.
What are the key properties of CID 158124284?
CID 158124284 has a molecular weight of 234.15 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158124284 is sourced from PubChem (CID 158124284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).