CID 58681815

C6H10BFO2 — CID 58681815

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)[C@H](C)C1F
InChIInChI=1S/C6H10BFO2/c1-3-4(2-9)10-6(7)5(3)8/h3-6,9H,2H2,1H3/t3-,4+,5?,6+/m0/s1
InChIKeyHXTRNHFAVLWDOR-KIFFQIORSA-N
MW143.95 g/mol
LogP-0.15
Rot. Bonds1

About CID 58681815

CID 58681815 (PubChem CID 58681815) has the molecular formula C6H10BFO2 and a molecular weight of 143.95 g/mol.

Molecular Properties

Compound NameCID 58681815
PubChem CID58681815
Molecular FormulaC6H10BFO2
Molecular Weight143.95 g/mol
Exact Mass144.08
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)[C@H](C)C1F
InChIInChI=1S/C6H10BFO2/c1-3-4(2-9)10-6(7)5(3)8/h3-6,9H,2H2,1H3/t3-,4+,5?,6+/m0/s1
InChIKeyHXTRNHFAVLWDOR-KIFFQIORSA-N
XLogP-0.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.95
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 58681815 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58681815?
The IUPAC name of CID 58681815 (CID 58681815) is not available.
What is the SMILES notation for CID 58681815?
The canonical SMILES for CID 58681815 is [B][C@@H]1O[C@H](CO)[C@H](C)C1F.
What is the InChIKey of CID 58681815?
The InChIKey is HXTRNHFAVLWDOR-KIFFQIORSA-N. The full InChI is InChI=1S/C6H10BFO2/c1-3-4(2-9)10-6(7)5(3)8/h3-6,9H,2H2,1H3/t3-,4+,5?,6+/m0/s1.
What are the key properties of CID 58681815?
CID 58681815 has a molecular weight of 143.95 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58681815 is sourced from PubChem (CID 58681815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).