potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide

C11H13BF3KO — CID 135036909

IUPACpotassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide
SMILESF[B-](F)(F)[C@@H]1C[C@H]1COCc1ccccc1.[K+]
InChIInChI=1S/C11H13BF3O.K/c13-12(14,15)11-6-10(11)8-16-7-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;/q-1;+1/t10-,11+;/m0./s1
InChIKeyCBRIUORUWGJGCI-VZXYPILPSA-N
MW268.13 g/mol
LogP0.44
Rot. Bonds5

About potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide

potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide (PubChem CID 135036909) has the molecular formula C11H13BF3KO and a molecular weight of 268.13 g/mol. Its IUPAC name is potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide
PubChem CID135036909
Molecular FormulaC11H13BF3KO
Molecular Weight268.13 g/mol
Exact Mass268.06
IUPAC Namepotassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide
SMILESF[B-](F)(F)[C@@H]1C[C@H]1COCc1ccccc1.[K+]
InChIInChI=1S/C11H13BF3O.K/c13-12(14,15)11-6-10(11)8-16-7-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;/q-1;+1/t10-,11+;/m0./s1
InChIKeyCBRIUORUWGJGCI-VZXYPILPSA-N
XLogP0.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 50.44
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

potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide
CID 23711838
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630
[(1S,2S)-2-ethenylcyclopropyl]methoxymethylbenzene
CID 15816056
[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 101171372
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
potassium;[(1S,2S)-2-(phenylmethoxycarbonylaminomethyl)cyclopropyl]boronic acid;trifluoro-[(1S,2S)-2-(phenylmethoxycarbonylaminomethyl)cyclopropyl]boranuide
CID 159784401
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine
CID 57425834

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide?
The IUPAC name of potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide (CID 135036909) is potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide?
The canonical SMILES for potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide is F[B-](F)(F)[C@@H]1C[C@H]1COCc1ccccc1.[K+].
What is the InChIKey of potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide?
The InChIKey is CBRIUORUWGJGCI-VZXYPILPSA-N. The full InChI is InChI=1S/C11H13BF3O.K/c13-12(14,15)11-6-10(11)8-16-7-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;/q-1;+1/t10-,11+;/m0./s1.
What are the key properties of potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide?
potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide has a molecular weight of 268.13 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide is sourced from PubChem (CID 135036909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).