chloro-phenyl-(trifluoromethyl)borane

C7H5BClF3 — CID 174441446

IUPACchloro-phenyl-(trifluoromethyl)borane
SMILESFC(F)(F)B(Cl)c1ccccc1
InChIInChI=1S/C7H5BClF3/c9-8(7(10,11)12)6-4-2-1-3-5-6/h1-5H
InChIKeyUXPWHOSMKSQNRB-UHFFFAOYSA-N
MW192.38 g/mol
LogP2.23
Rot. Bonds1

About chloro-phenyl-(trifluoromethyl)borane

chloro-phenyl-(trifluoromethyl)borane (PubChem CID 174441446) has the molecular formula C7H5BClF3 and a molecular weight of 192.38 g/mol. Its IUPAC name is chloro-phenyl-(trifluoromethyl)borane.

Molecular Properties

Compound Namechloro-phenyl-(trifluoromethyl)borane
PubChem CID174441446
Molecular FormulaC7H5BClF3
Molecular Weight192.38 g/mol
Exact Mass192.01
IUPAC Namechloro-phenyl-(trifluoromethyl)borane
SMILESFC(F)(F)B(Cl)c1ccccc1
InChIInChI=1S/C7H5BClF3/c9-8(7(10,11)12)6-4-2-1-3-5-6/h1-5H
InChIKeyUXPWHOSMKSQNRB-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Fluorobenzene
CID 10008
1,3-Difluorobenzene
CID 9741
1,4-Difluorobenzene
CID 10892
1,2-Difluorobenzene
CID 9706
Potassium (2,6-difluorophenyl)trifluoroboranuide
CID 23677741
1,2,3-Trifluorobenzene
CID 15147
1,2,4-Trifluorobenzene
CID 67773
Phenyl(trifluoromethyl)mercury
CID 429021
Fluoro(2H5)benzene
CID 80279
Borane, dichlorophenyl-
CID 136678
(2,3-Difluorophenyl)boronic acid
CID 2734333
2,4-Difluorophenylboronic acid
CID 2734334

Frequently Asked Questions

What is the IUPAC name of chloro-phenyl-(trifluoromethyl)borane?
The IUPAC name of chloro-phenyl-(trifluoromethyl)borane (CID 174441446) is chloro-phenyl-(trifluoromethyl)borane.
What is the SMILES notation for chloro-phenyl-(trifluoromethyl)borane?
The canonical SMILES for chloro-phenyl-(trifluoromethyl)borane is FC(F)(F)B(Cl)c1ccccc1.
What is the InChIKey of chloro-phenyl-(trifluoromethyl)borane?
The InChIKey is UXPWHOSMKSQNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BClF3/c9-8(7(10,11)12)6-4-2-1-3-5-6/h1-5H.
What are the key properties of chloro-phenyl-(trifluoromethyl)borane?
chloro-phenyl-(trifluoromethyl)borane has a molecular weight of 192.38 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-phenyl-(trifluoromethyl)borane is sourced from PubChem (CID 174441446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).