potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide

C7H6BF4KO — CID 87620756

IUPACpotassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide
SMILESCOc1cccc(F)c1[B-](F)(F)F.[K+]
InChIInChI=1S/C7H6BF4O.K/c1-13-6-4-2-3-5(9)7(6)8(10,11)12;/h2-4H,1H3;/q-1;+1
InChIKeyVXODINMXYDSUDC-UHFFFAOYSA-N
MW232.03 g/mol
LogP-1.11
Rot. Bonds2

About potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide

potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide (PubChem CID 87620756) has the molecular formula C7H6BF4KO and a molecular weight of 232.03 g/mol. Its IUPAC name is potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide
PubChem CID87620756
Molecular FormulaC7H6BF4KO
Molecular Weight232.03 g/mol
Exact Mass232.01
IUPAC Namepotassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide
SMILESCOc1cccc(F)c1[B-](F)(F)F.[K+]
InChIInChI=1S/C7H6BF4O.K/c1-13-6-4-2-3-5(9)7(6)8(10,11)12;/h2-4H,1H3;/q-1;+1
InChIKeyVXODINMXYDSUDC-UHFFFAOYSA-N
XLogP-1.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-(2-fluoro-6-methoxyphenyl)boranuide
CID 87620757
(2-chloro-6-methoxyphenyl)-trifluoroboranuide
CID 122199615
potassium trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677244
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
magnesium;1-fluoro-2-methoxybenzene;hydride
CID 174440812
trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677245
difluoro-(2-fluoro-6-methoxyphenyl)borane
CID 165159856
2-fluoro-6-methoxybenzenediazonium
CID 168860936
(2-fluoro-6-methoxyphenyl)boronic acid
CID 3294524
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
2-fluoro-6-methoxy-N-methylaniline;hydrochloride
CID 57362323
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide?
The IUPAC name of potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide (CID 87620756) is potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide.
What is the SMILES notation for potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide?
The canonical SMILES for potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide is COc1cccc(F)c1[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide?
The InChIKey is VXODINMXYDSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF4O.K/c1-13-6-4-2-3-5(9)7(6)8(10,11)12;/h2-4H,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide?
potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide has a molecular weight of 232.03 g/mol, XLogP of -1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide is sourced from PubChem (CID 87620756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).