CID 143050447

C8H12BF2N — CID 143050447

IUPAC—
SMILES[B]C1C2CNCC2CCC1(F)F
InChIInChI=1S/C8H12BF2N/c9-7-6-4-12-3-5(6)1-2-8(7,10)11/h5-7,12H,1-4H2
InChIKeyOXFPCLVRKSXMFS-UHFFFAOYSA-N
MW171.00 g/mol
LogP1.21
Rot. Bonds

About CID 143050447

CID 143050447 (PubChem CID 143050447) has the molecular formula C8H12BF2N and a molecular weight of 171.00 g/mol.

Molecular Properties

Compound NameCID 143050447
PubChem CID143050447
Molecular FormulaC8H12BF2N
Molecular Weight171.00 g/mol
Exact Mass171.10
IUPAC Name—
SMILES[B]C1C2CNCC2CCC1(F)F
InChIInChI=1S/C8H12BF2N/c9-7-6-4-12-3-5(6)1-2-8(7,10)11/h5-7,12H,1-4H2
InChIKeyOXFPCLVRKSXMFS-UHFFFAOYSA-N
XLogP1.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.00
LogP ≤ 51.21
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 143050447?
The IUPAC name of CID 143050447 (CID 143050447) is not available.
What is the SMILES notation for CID 143050447?
The canonical SMILES for CID 143050447 is [B]C1C2CNCC2CCC1(F)F.
What is the InChIKey of CID 143050447?
The InChIKey is OXFPCLVRKSXMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BF2N/c9-7-6-4-12-3-5(6)1-2-8(7,10)11/h5-7,12H,1-4H2.
What are the key properties of CID 143050447?
CID 143050447 has a molecular weight of 171.00 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143050447 is sourced from PubChem (CID 143050447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).