oxo-[4-(trifluoromethyl)phenoxy]borane

C7H4BF3O2 — CID 91607214

IUPACoxo-[4-(trifluoromethyl)phenoxy]borane
SMILESO=BOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H4BF3O2/c9-7(10,11)5-1-3-6(4-2-5)13-8-12/h1-4H
InChIKeyYIYXULBCBHHFQB-UHFFFAOYSA-N
MW187.91 g/mol
LogP2.05
Rot. Bonds2

About oxo-[4-(trifluoromethyl)phenoxy]borane

oxo-[4-(trifluoromethyl)phenoxy]borane (PubChem CID 91607214) has the molecular formula C7H4BF3O2 and a molecular weight of 187.91 g/mol. Its IUPAC name is oxo-[4-(trifluoromethyl)phenoxy]borane.

Molecular Properties

Compound Nameoxo-[4-(trifluoromethyl)phenoxy]borane
PubChem CID91607214
Molecular FormulaC7H4BF3O2
Molecular Weight187.91 g/mol
Exact Mass188.03
IUPAC Nameoxo-[4-(trifluoromethyl)phenoxy]borane
SMILESO=BOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H4BF3O2/c9-7(10,11)5-1-3-6(4-2-5)13-8-12/h1-4H
InChIKeyYIYXULBCBHHFQB-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.91
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(trifluoromethyl)phenyl] carbonofluoridate
CID 10774714
2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde
CID 174144064
1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
CID 59933429
bis[4-(trifluoromethyl)phenoxy]borinic acid
CID 174972605
(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
N-[4-(trifluoromethyl)phenoxy]acetamide
CID 162546353
1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene
CID 71447117
[4-(trifluoromethyl)phenyl] prop-2-ynoate
CID 87293499
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
N,N-bis[4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]aniline
CID 143481047
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800

Frequently Asked Questions

What is the IUPAC name of oxo-[4-(trifluoromethyl)phenoxy]borane?
The IUPAC name of oxo-[4-(trifluoromethyl)phenoxy]borane (CID 91607214) is oxo-[4-(trifluoromethyl)phenoxy]borane.
What is the SMILES notation for oxo-[4-(trifluoromethyl)phenoxy]borane?
The canonical SMILES for oxo-[4-(trifluoromethyl)phenoxy]borane is O=BOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of oxo-[4-(trifluoromethyl)phenoxy]borane?
The InChIKey is YIYXULBCBHHFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BF3O2/c9-7(10,11)5-1-3-6(4-2-5)13-8-12/h1-4H.
What are the key properties of oxo-[4-(trifluoromethyl)phenoxy]borane?
oxo-[4-(trifluoromethyl)phenoxy]borane has a molecular weight of 187.91 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[4-(trifluoromethyl)phenoxy]borane is sourced from PubChem (CID 91607214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).