CID 88572284

C6H10BFO2 — CID 88572284

IUPAC—
SMILES[B][C@@H]1O[C@H](CC)[C@@H](F)C1O
InChIInChI=1S/C6H10BFO2/c1-2-3-4(8)5(9)6(7)10-3/h3-6,9H,2H2,1H3/t3-,4-,5?,6-/m1/s1
InChIKeyZUGBGHPFSIUUPC-DUVQVXGLSA-N
MW143.95 g/mol
LogP-0.01
Rot. Bonds1

About CID 88572284

CID 88572284 (PubChem CID 88572284) has the molecular formula C6H10BFO2 and a molecular weight of 143.95 g/mol.

Molecular Properties

Compound NameCID 88572284
PubChem CID88572284
Molecular FormulaC6H10BFO2
Molecular Weight143.95 g/mol
Exact Mass144.08
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CC)[C@@H](F)C1O
InChIInChI=1S/C6H10BFO2/c1-2-3-4(8)5(9)6(7)10-3/h3-6,9H,2H2,1H3/t3-,4-,5?,6-/m1/s1
InChIKeyZUGBGHPFSIUUPC-DUVQVXGLSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 88533246
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Frequently Asked Questions

What is the IUPAC name of CID 88572284?
The IUPAC name of CID 88572284 (CID 88572284) is not available.
What is the SMILES notation for CID 88572284?
The canonical SMILES for CID 88572284 is [B][C@@H]1O[C@H](CC)[C@@H](F)C1O.
What is the InChIKey of CID 88572284?
The InChIKey is ZUGBGHPFSIUUPC-DUVQVXGLSA-N. The full InChI is InChI=1S/C6H10BFO2/c1-2-3-4(8)5(9)6(7)10-3/h3-6,9H,2H2,1H3/t3-,4-,5?,6-/m1/s1.
What are the key properties of CID 88572284?
CID 88572284 has a molecular weight of 143.95 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88572284 is sourced from PubChem (CID 88572284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).