CID 58432607

C7H7BFO3 — CID 58432607

IUPAC—
SMILESCOc1cc(F)ccc1O[B]O
InChIInChI=1S/C7H7BFO3/c1-11-7-4-5(9)2-3-6(7)12-8-10/h2-4,10H,1H3
InChIKeyOANQYVCPVOAPDE-UHFFFAOYSA-N
MW168.94 g/mol
LogP0.74
Rot. Bonds3

About CID 58432607

CID 58432607 (PubChem CID 58432607) has the molecular formula C7H7BFO3 and a molecular weight of 168.94 g/mol.

Molecular Properties

Compound NameCID 58432607
PubChem CID58432607
Molecular FormulaC7H7BFO3
Molecular Weight168.94 g/mol
Exact Mass169.05
IUPAC Name—
SMILESCOc1cc(F)ccc1O[B]O
InChIInChI=1S/C7H7BFO3/c1-11-7-4-5(9)2-3-6(7)12-8-10/h2-4,10H,1H3
InChIKeyOANQYVCPVOAPDE-UHFFFAOYSA-N
XLogP0.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.94
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 126993061
4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
CID 53484257
(4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
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2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of CID 58432607?
The IUPAC name of CID 58432607 (CID 58432607) is not available.
What is the SMILES notation for CID 58432607?
The canonical SMILES for CID 58432607 is COc1cc(F)ccc1O[B]O.
What is the InChIKey of CID 58432607?
The InChIKey is OANQYVCPVOAPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BFO3/c1-11-7-4-5(9)2-3-6(7)12-8-10/h2-4,10H,1H3.
What are the key properties of CID 58432607?
CID 58432607 has a molecular weight of 168.94 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58432607 is sourced from PubChem (CID 58432607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).