CID 174008869

C6H7BFN — CID 174008869

IUPAC—
SMILES[B]/C(=C/C=C\N=C)CF
InChIInChI=1S/C6H7BFN/c1-9-4-2-3-6(7)5-8/h2-4H,1,5H2/b4-2-,6-3+
InChIKeyIXBLLZFTKXSRPX-MDNDHVJUSA-N
MW122.94 g/mol
LogP1.22
Rot. Bonds3

About CID 174008869

CID 174008869 (PubChem CID 174008869) has the molecular formula C6H7BFN and a molecular weight of 122.94 g/mol.

Molecular Properties

Compound NameCID 174008869
PubChem CID174008869
Molecular FormulaC6H7BFN
Molecular Weight122.94 g/mol
Exact Mass123.07
IUPAC Name—
SMILES[B]/C(=C/C=C\N=C)CF
InChIInChI=1S/C6H7BFN/c1-9-4-2-3-6(7)5-8/h2-4H,1,5H2/b4-2-,6-3+
InChIKeyIXBLLZFTKXSRPX-MDNDHVJUSA-N
XLogP1.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.94
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine
CID 88579603
N-(3-fluorobuta-1,3-dienyl)methanimine
CID 123846131
N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]methanimine
CID 143599379
N-[(1Z)-3-fluorobuta-1,3-dienyl]methanimine
CID 144108219
N-[(1Z,3E)-4-fluoropenta-1,3-dienyl]methanimine
CID 144319007
N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine
CID 147832810
4-Fluoro-1-azacyclohepta-2,4,6,7-tetraene
CID 71331629
3-Fluoro-1-azacyclohepta-1,2,4,6-tetraene
CID 85678145
CID 145474655
CID 145474655

Frequently Asked Questions

What is the IUPAC name of CID 174008869?
The IUPAC name of CID 174008869 (CID 174008869) is not available.
What is the SMILES notation for CID 174008869?
The canonical SMILES for CID 174008869 is [B]/C(=C/C=C\N=C)CF.
What is the InChIKey of CID 174008869?
The InChIKey is IXBLLZFTKXSRPX-MDNDHVJUSA-N. The full InChI is InChI=1S/C6H7BFN/c1-9-4-2-3-6(7)5-8/h2-4H,1,5H2/b4-2-,6-3+.
What are the key properties of CID 174008869?
CID 174008869 has a molecular weight of 122.94 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174008869 is sourced from PubChem (CID 174008869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).