CID 123551492

C5H10BFN2 — CID 123551492

IUPAC—
SMILES[B]N1CCC(N)C(F)C1
InChIInChI=1S/C5H10BFN2/c6-9-2-1-5(8)4(7)3-9/h4-5H,1-3,8H2
InChIKeyUZHUOULMQFSVBO-UHFFFAOYSA-N
MW127.96 g/mol
LogP-0.56
Rot. Bonds

About CID 123551492

CID 123551492 (PubChem CID 123551492) has the molecular formula C5H10BFN2 and a molecular weight of 127.96 g/mol.

Molecular Properties

Compound NameCID 123551492
PubChem CID123551492
Molecular FormulaC5H10BFN2
Molecular Weight127.96 g/mol
Exact Mass128.09
IUPAC Name—
SMILES[B]N1CCC(N)C(F)C1
InChIInChI=1S/C5H10BFN2/c6-9-2-1-5(8)4(7)3-9/h4-5H,1-3,8H2
InChIKeyUZHUOULMQFSVBO-UHFFFAOYSA-N
XLogP-0.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.96
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
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 123551492?
The IUPAC name of CID 123551492 (CID 123551492) is not available.
What is the SMILES notation for CID 123551492?
The canonical SMILES for CID 123551492 is [B]N1CCC(N)C(F)C1.
What is the InChIKey of CID 123551492?
The InChIKey is UZHUOULMQFSVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BFN2/c6-9-2-1-5(8)4(7)3-9/h4-5H,1-3,8H2.
What are the key properties of CID 123551492?
CID 123551492 has a molecular weight of 127.96 g/mol, XLogP of -0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123551492 is sourced from PubChem (CID 123551492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).