CID 153370969

C6H11BFN — CID 153370969

IUPAC—
SMILES[B]N(C=C)CCCCF
InChIInChI=1S/C6H11BFN/c1-2-9(7)6-4-3-5-8/h2H,1,3-6H2
InChIKeyPWCSQNLJPAKHIX-UHFFFAOYSA-N
MW126.97 g/mol
LogP1.27
Rot. Bonds5

About CID 153370969

CID 153370969 (PubChem CID 153370969) has the molecular formula C6H11BFN and a molecular weight of 126.97 g/mol.

Molecular Properties

Compound NameCID 153370969
PubChem CID153370969
Molecular FormulaC6H11BFN
Molecular Weight126.97 g/mol
Exact Mass127.10
IUPAC Name—
SMILES[B]N(C=C)CCCCF
InChIInChI=1S/C6H11BFN/c1-2-9(7)6-4-3-5-8/h2H,1,3-6H2
InChIKeyPWCSQNLJPAKHIX-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.97
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153370969?
The IUPAC name of CID 153370969 (CID 153370969) is not available.
What is the SMILES notation for CID 153370969?
The canonical SMILES for CID 153370969 is [B]N(C=C)CCCCF.
What is the InChIKey of CID 153370969?
The InChIKey is PWCSQNLJPAKHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BFN/c1-2-9(7)6-4-3-5-8/h2H,1,3-6H2.
What are the key properties of CID 153370969?
CID 153370969 has a molecular weight of 126.97 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153370969 is sourced from PubChem (CID 153370969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).