potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide

C13H16BF4KO — CID 82928963

IUPACpotassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide
SMILESFc1cc(OC2CCCCCC2)ccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C13H16BF4O.K/c15-13-9-11(7-8-12(13)14(16,17)18)19-10-5-3-1-2-4-6-10;/h7-10H,1-6H2;/q-1;+1
InChIKeyQOCDHIOTWOJMQY-UHFFFAOYSA-N
MW314.17 g/mol
LogP0.99
Rot. Bonds3

About potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide

potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide (PubChem CID 82928963) has the molecular formula C13H16BF4KO and a molecular weight of 314.17 g/mol. Its IUPAC name is potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide
PubChem CID82928963
Molecular FormulaC13H16BF4KO
Molecular Weight314.17 g/mol
Exact Mass314.09
IUPAC Namepotassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide
SMILESFc1cc(OC2CCCCCC2)ccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C13H16BF4O.K/c15-13-9-11(7-8-12(13)14(16,17)18)19-10-5-3-1-2-4-6-10;/h7-10H,1-6H2;/q-1;+1
InChIKeyQOCDHIOTWOJMQY-UHFFFAOYSA-N
XLogP0.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium trifluoro-[4-(3-methoxycyclohexyl)oxy-2-methylphenyl]boranuide
CID 83137054
(2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide
CID 63705372
3-(4-cycloheptyloxy-2-fluorophenyl)prop-2-yn-1-ol
CID 82922940
4-(3,4-difluorophenoxy)azepane
CID 63904830
potassium [4-(3,4-dimethylcyclohexyl)oxy-2-methylphenyl]-trifluoroboranuide
CID 83137073
2-bromo-6-cyclopentyloxynaphthalene
CID 63531133
4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline
CID 66997224
1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491
N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine
CID 107717660
2,5-dicyclohexyloxyphenol
CID 139941916
CID 91508162
CID 91508162
1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
CID 65202671

Frequently Asked Questions

What is the IUPAC name of potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide?
The IUPAC name of potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide (CID 82928963) is potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide?
The canonical SMILES for potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide is Fc1cc(OC2CCCCCC2)ccc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide?
The InChIKey is QOCDHIOTWOJMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BF4O.K/c15-13-9-11(7-8-12(13)14(16,17)18)19-10-5-3-1-2-4-6-10;/h7-10H,1-6H2;/q-1;+1.
What are the key properties of potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide?
potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide has a molecular weight of 314.17 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide is sourced from PubChem (CID 82928963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).