potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide

C9H6BF6K — CID 162342116

IUPACpotassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide
SMILESFc1cc([C@@H]2C[C@H]2[B-](F)(F)F)cc(F)c1F.[K+]
InChIInChI=1S/C9H6BF6.K/c11-7-1-4(2-8(12)9(7)13)5-3-6(5)10(14,15)16;/h1-2,5-6H,3H2;/q-1;+1/t5-,6+;/m0./s1
InChIKeyTUSJVOOEIYGBLZ-RIHPBJNCSA-N
MW278.05 g/mol
LogP0.81
Rot. Bonds2

About potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide

potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide (PubChem CID 162342116) has the molecular formula C9H6BF6K and a molecular weight of 278.05 g/mol. Its IUPAC name is potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide
PubChem CID162342116
Molecular FormulaC9H6BF6K
Molecular Weight278.05 g/mol
Exact Mass278.01
IUPAC Namepotassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide
SMILESFc1cc([C@@H]2C[C@H]2[B-](F)(F)F)cc(F)c1F.[K+]
InChIInChI=1S/C9H6BF6.K/c11-7-1-4(2-8(12)9(7)13)5-3-6(5)10(14,15)16;/h1-2,5-6H,3H2;/q-1;+1/t5-,6+;/m0./s1
InChIKeyTUSJVOOEIYGBLZ-RIHPBJNCSA-N
XLogP0.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide?
The IUPAC name of potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide (CID 162342116) is potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide?
The canonical SMILES for potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide is Fc1cc([C@@H]2C[C@H]2[B-](F)(F)F)cc(F)c1F.[K+].
What is the InChIKey of potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide?
The InChIKey is TUSJVOOEIYGBLZ-RIHPBJNCSA-N. The full InChI is InChI=1S/C9H6BF6.K/c11-7-1-4(2-8(12)9(7)13)5-3-6(5)10(14,15)16;/h1-2,5-6H,3H2;/q-1;+1/t5-,6+;/m0./s1.
What are the key properties of potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide?
potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide has a molecular weight of 278.05 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide is sourced from PubChem (CID 162342116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).