potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide

C7H5BClF4K — CID 102620260

IUPACpotassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide
SMILESFc1ccc(Cl)c(C[B-](F)(F)F)c1.[K+]
InChIInChI=1S/C7H5BClF4.K/c9-7-2-1-6(10)3-5(7)4-8(11,12)13;/h1-3H,4H2;/q-1;+1
InChIKeyXQLFMVXEDHBGMH-UHFFFAOYSA-N
MW250.47 g/mol
LogP0.41
Rot. Bonds2

About potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide

potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide (PubChem CID 102620260) has the molecular formula C7H5BClF4K and a molecular weight of 250.47 g/mol. Its IUPAC name is potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide
PubChem CID102620260
Molecular FormulaC7H5BClF4K
Molecular Weight250.47 g/mol
Exact Mass249.97
IUPAC Namepotassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide
SMILESFc1ccc(Cl)c(C[B-](F)(F)F)c1.[K+]
InChIInChI=1S/C7H5BClF4.K/c9-7-2-1-6(10)3-5(7)4-8(11,12)13;/h1-3H,4H2;/q-1;+1
InChIKeyXQLFMVXEDHBGMH-UHFFFAOYSA-N
XLogP0.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.47
LogP ≤ 50.41
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-chloro-4-fluorophenyl)methyl-trifluoroboranuide
CID 63703825
potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
CID 171374127
potassium [2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 102616637
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid
CID 102616791
1-chloro-2-[2-(chloromethyl)-2-ethylbutyl]-4-fluorobenzene
CID 102621280
1-chloro-2-(3-chlorobutyl)-4-fluorobenzene
CID 105395959
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
1-(2-chloro-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446364
2-bromo-N-[(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 102620250
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
(1S,2R,4S,5S)-6-[(2-chloro-5-fluorophenyl)methylamino]cyclohexane-1,2,3,4,5-pentol
CID 102478597

Frequently Asked Questions

What is the IUPAC name of potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide?
The IUPAC name of potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide (CID 102620260) is potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide is Fc1ccc(Cl)c(C[B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide?
The InChIKey is XQLFMVXEDHBGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BClF4.K/c9-7-2-1-6(10)3-5(7)4-8(11,12)13;/h1-3H,4H2;/q-1;+1.
What are the key properties of potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide?
potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide has a molecular weight of 250.47 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2-chloro-5-fluorophenyl)methyl-trifluoroboranuide is sourced from PubChem (CID 102620260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).