dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane

C4H4BF3K2O3 — CID 175031838

IUPACdipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane
SMILESCC1(OB([O-])[O-])C(F)C1(F)F.[K+].[K+]
InChIInChI=1S/C4H4BF3O3.2K/c1-3(11-5(9)10)2(6)4(3,7)8;;/h2H,1H3;;/q-2;2*+1
InChIKeyANLWEZLJBHJPOA-UHFFFAOYSA-N
MW246.07 g/mol
LogP-7.54
Rot. Bonds2

About dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane

dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane (PubChem CID 175031838) has the molecular formula C4H4BF3K2O3 and a molecular weight of 246.07 g/mol. Its IUPAC name is dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane.

Molecular Properties

Compound Namedipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane
PubChem CID175031838
Molecular FormulaC4H4BF3K2O3
Molecular Weight246.07 g/mol
Exact Mass245.95
IUPAC Namedipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane
SMILESCC1(OB([O-])[O-])C(F)C1(F)F.[K+].[K+]
InChIInChI=1S/C4H4BF3O3.2K/c1-3(11-5(9)10)2(6)4(3,7)8;;/h2H,1H3;;/q-2;2*+1
InChIKeyANLWEZLJBHJPOA-UHFFFAOYSA-N
XLogP-7.54
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 5-7.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,2,3-trifluoro-1-methylcyclopropyl)oxyboronic acid
CID 175031839
dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane
CID 66779980
dipotassium;5-dioxidoboranyloxy-1,2,3,4,5,6,6-heptafluorocyclohex-3-ene-1-carbonitrile
CID 172796604
1,1,2,2,3,3,4,5,5,6-decafluoro-4-methylcyclohexane
CID 58854942
1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
CID 154317052
cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane
CID 96565592
1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742
cis-(1R,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
CID 23233710
2,3,3,4,5-pentafluoro-4-methylthiolane
CID 87128738
2,2,3-trifluoro-3-methyloxirane
CID 22289961
(2,3,3-trifluoro-4-methyl-1-bicyclo[2.2.2]octanyl) acetate
CID 59480671
2,2,3,3,4,5,5,6,6-nonafluorooxane
CID 73057419

Frequently Asked Questions

What is the IUPAC name of dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane?
The IUPAC name of dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane (CID 175031838) is dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane.
What is the SMILES notation for dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane?
The canonical SMILES for dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane is CC1(OB([O-])[O-])C(F)C1(F)F.[K+].[K+].
What is the InChIKey of dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane?
The InChIKey is ANLWEZLJBHJPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BF3O3.2K/c1-3(11-5(9)10)2(6)4(3,7)8;;/h2H,1H3;;/q-2;2*+1.
What are the key properties of dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane?
dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane has a molecular weight of 246.07 g/mol, XLogP of -7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane is sourced from PubChem (CID 175031838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).