trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide

C13H11BF3O- — CID 75176015

IUPACtrifluoro-[4-(4-methoxyphenyl)phenyl]boranuide
SMILESCOc1ccc(-c2ccc([B-](F)(F)F)cc2)cc1
InChIInChI=1S/C13H11BF3O/c1-18-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15,16)17/h2-9H,1H3/q-1
InChIKeyQRCNQRJJPWAQJP-UHFFFAOYSA-N
MW251.04 g/mol
LogP3.42
Rot. Bonds3

About trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide

trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide (PubChem CID 75176015) has the molecular formula C13H11BF3O- and a molecular weight of 251.04 g/mol. Its IUPAC name is trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-(4-methoxyphenyl)phenyl]boranuide
PubChem CID75176015
Molecular FormulaC13H11BF3O-
Molecular Weight251.04 g/mol
Exact Mass251.09
IUPAC Nametrifluoro-[4-(4-methoxyphenyl)phenyl]boranuide
SMILESCOc1ccc(-c2ccc([B-](F)(F)F)cc2)cc1
InChIInChI=1S/C13H11BF3O/c1-18-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15,16)17/h2-9H,1H3/q-1
InChIKeyQRCNQRJJPWAQJP-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
trifluoro-[4-[(4-methoxyphenyl)methylselanyl]phenyl]boranuide
CID 46239828
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide?
The IUPAC name of trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide (CID 75176015) is trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide?
The canonical SMILES for trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide is COc1ccc(-c2ccc([B-](F)(F)F)cc2)cc1.
What is the InChIKey of trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide?
The InChIKey is QRCNQRJJPWAQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF3O/c1-18-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15,16)17/h2-9H,1H3/q-1.
What are the key properties of trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide?
trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide has a molecular weight of 251.04 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide is sourced from PubChem (CID 75176015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).