CID 89130243

C7H5BF3O2 — CID 89130243

IUPAC—
SMILESO[B]c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C7H5BF3O2/c9-7(10,11)13-6-3-1-2-5(4-6)8-12/h1-4,12H
InChIKeyRIHNEHMOOKLLBT-UHFFFAOYSA-N
MW188.92 g/mol
LogP0.82
Rot. Bonds2

About CID 89130243

CID 89130243 (PubChem CID 89130243) has the molecular formula C7H5BF3O2 and a molecular weight of 188.92 g/mol.

Molecular Properties

Compound NameCID 89130243
PubChem CID89130243
Molecular FormulaC7H5BF3O2
Molecular Weight188.92 g/mol
Exact Mass189.03
IUPAC Name—
SMILESO[B]c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C7H5BF3O2/c9-7(10,11)13-6-3-1-2-5(4-6)8-12/h1-4,12H
InChIKeyRIHNEHMOOKLLBT-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
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

1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
ethane;3-(trifluoromethoxy)phenol
CID 143201974
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
[3-(trifluoromethoxy)phenyl] acetate
CID 20717735
trifluoromethoxybenzene
CID 157402708
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709

Frequently Asked Questions

What is the IUPAC name of CID 89130243?
The IUPAC name of CID 89130243 (CID 89130243) is not available.
What is the SMILES notation for CID 89130243?
The canonical SMILES for CID 89130243 is O[B]c1cccc(OC(F)(F)F)c1.
What is the InChIKey of CID 89130243?
The InChIKey is RIHNEHMOOKLLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF3O2/c9-7(10,11)13-6-3-1-2-5(4-6)8-12/h1-4,12H.
What are the key properties of CID 89130243?
CID 89130243 has a molecular weight of 188.92 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89130243 is sourced from PubChem (CID 89130243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).