potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide

C10H11BF3K — CID 23711838

IUPACpotassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide
SMILESF[B-](F)(F)[C@H]1C[C@H]1Cc1ccccc1.[K+]
InChIInChI=1S/C10H11BF3.K/c12-11(13,14)10-7-9(10)6-8-4-2-1-3-5-8;/h1-5,9-10H,6-7H2;/q-1;+1/t9-,10+;/m1./s1
InChIKeyNJARARQPAWGMPB-UXQCFNEQSA-N
MW238.10 g/mol
LogP0.47
Rot. Bonds3

About potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide

potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide (PubChem CID 23711838) has the molecular formula C10H11BF3K and a molecular weight of 238.10 g/mol. Its IUPAC name is potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide
PubChem CID23711838
Molecular FormulaC10H11BF3K
Molecular Weight238.10 g/mol
Exact Mass238.05
IUPAC Namepotassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide
SMILESF[B-](F)(F)[C@H]1C[C@H]1Cc1ccccc1.[K+]
InChIInChI=1S/C10H11BF3.K/c12-11(13,14)10-7-9(10)6-8-4-2-1-3-5-8;/h1-5,9-10H,6-7H2;/q-1;+1/t9-,10+;/m1./s1
InChIKeyNJARARQPAWGMPB-UXQCFNEQSA-N
XLogP0.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 50.47
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

potassium [(1R,2S)-2-benzylcyclopropyl]-trifluoroboranuide
CID 157032718
potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide
CID 135036909
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
(2-benzylcyclopropyl)methanamine
CID 56605942
potassium;[(1S,2S)-2-(phenylmethoxycarbonylaminomethyl)cyclopropyl]boronic acid;trifluoro-[(1S,2S)-2-(phenylmethoxycarbonylaminomethyl)cyclopropyl]boranuide
CID 159784401
[(1S,2R)-2-methoxycyclopropyl]methylbenzene
CID 100914167
(1S,2R,5R)-2-benzylbicyclo[3.1.0]hexane
CID 158080473
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
CID 166640244
(2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol
CID 15856891
(2S,3S)-3-benzyloxolan-2-ol
CID 86339403
1-(2-benzylcyclobutyl)-2-methylpropan-1-one
CID 123708606

Frequently Asked Questions

What is the IUPAC name of potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide?
The IUPAC name of potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide (CID 23711838) is potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide.
What is the SMILES notation for potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide?
The canonical SMILES for potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide is F[B-](F)(F)[C@H]1C[C@H]1Cc1ccccc1.[K+].
What is the InChIKey of potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide?
The InChIKey is NJARARQPAWGMPB-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H11BF3.K/c12-11(13,14)10-7-9(10)6-8-4-2-1-3-5-8;/h1-5,9-10H,6-7H2;/q-1;+1/t9-,10+;/m1./s1.
What are the key properties of potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide?
potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide has a molecular weight of 238.10 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide is sourced from PubChem (CID 23711838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).