CID 59626106

C7H5BF3O2 — CID 59626106

IUPAC—
SMILESO[B]Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H5BF3O2/c9-7(10,11)5-2-1-3-6(4-5)13-8-12/h1-4,12H
InChIKeyGNEHFFPEJKFMTA-UHFFFAOYSA-N
MW188.92 g/mol
LogP1.61
Rot. Bonds2

About CID 59626106

CID 59626106 (PubChem CID 59626106) has the molecular formula C7H5BF3O2 and a molecular weight of 188.92 g/mol.

Molecular Properties

Compound NameCID 59626106
PubChem CID59626106
Molecular FormulaC7H5BF3O2
Molecular Weight188.92 g/mol
Exact Mass189.03
IUPAC Name—
SMILESO[B]Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H5BF3O2/c9-7(10,11)5-2-1-3-6(4-5)13-8-12/h1-4,12H
InChIKeyGNEHFFPEJKFMTA-UHFFFAOYSA-N
XLogP1.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.92
LogP ≤ 51.61
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 67274409
CID 68547080
CID 68547080
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane
CID 135074693
1-fluorosulfonyloxy-3-(trifluoromethyl)benzene
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2-[3-(trifluoromethyl)phenoxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of CID 59626106?
The IUPAC name of CID 59626106 (CID 59626106) is not available.
What is the SMILES notation for CID 59626106?
The canonical SMILES for CID 59626106 is O[B]Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of CID 59626106?
The InChIKey is GNEHFFPEJKFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF3O2/c9-7(10,11)5-2-1-3-6(4-5)13-8-12/h1-4,12H.
What are the key properties of CID 59626106?
CID 59626106 has a molecular weight of 188.92 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59626106 is sourced from PubChem (CID 59626106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).