trifluoro-(2-fluoro-5-methylphenyl)boranuide

C7H6BF4- — CID 10420845

IUPACtrifluoro-(2-fluoro-5-methylphenyl)boranuide
SMILESCc1ccc(F)c([B-](F)(F)F)c1
InChIInChI=1S/C7H6BF4/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3/q-1
InChIKeyJBFCCAIYRMJDKS-UHFFFAOYSA-N
MW176.93 g/mol
LogP2.19
Rot. Bonds1

About trifluoro-(2-fluoro-5-methylphenyl)boranuide

trifluoro-(2-fluoro-5-methylphenyl)boranuide (PubChem CID 10420845) has the molecular formula C7H6BF4- and a molecular weight of 176.93 g/mol. Its IUPAC name is trifluoro-(2-fluoro-5-methylphenyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(2-fluoro-5-methylphenyl)boranuide
PubChem CID10420845
Molecular FormulaC7H6BF4-
Molecular Weight176.93 g/mol
Exact Mass177.05
IUPAC Nametrifluoro-(2-fluoro-5-methylphenyl)boranuide
SMILESCc1ccc(F)c([B-](F)(F)F)c1
InChIInChI=1S/C7H6BF4/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3/q-1
InChIKeyJBFCCAIYRMJDKS-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.93
LogP ≤ 52.19
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

2-fluoro-N,N,5-trimethylaniline
CID 118521335
trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide
CID 10400156
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
(2-fluoro-5-methylphenyl) thiohypochlorite
CID 126731681
2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene
CID 134617358
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247

Frequently Asked Questions

What is the IUPAC name of trifluoro-(2-fluoro-5-methylphenyl)boranuide?
The IUPAC name of trifluoro-(2-fluoro-5-methylphenyl)boranuide (CID 10420845) is trifluoro-(2-fluoro-5-methylphenyl)boranuide.
What is the SMILES notation for trifluoro-(2-fluoro-5-methylphenyl)boranuide?
The canonical SMILES for trifluoro-(2-fluoro-5-methylphenyl)boranuide is Cc1ccc(F)c([B-](F)(F)F)c1.
What is the InChIKey of trifluoro-(2-fluoro-5-methylphenyl)boranuide?
The InChIKey is JBFCCAIYRMJDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF4/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3/q-1.
What are the key properties of trifluoro-(2-fluoro-5-methylphenyl)boranuide?
trifluoro-(2-fluoro-5-methylphenyl)boranuide has a molecular weight of 176.93 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-fluoro-5-methylphenyl)boranuide is sourced from PubChem (CID 10420845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).