dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane

C3H2BF3K2O3 — CID 66779980

IUPACdipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane
SMILES[K+].[K+].[O-]B([O-])OC1(F)CC1(F)F
InChIInChI=1S/C3H2BF3O3.2K/c5-2(6)1-3(2,7)10-4(8)9;;/h1H2;;/q-2;2*+1
InChIKeyUHMXCPWTCGMMEH-UHFFFAOYSA-N
MW232.05 g/mol
LogP-7.58
Rot. Bonds2

About dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane

dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane (PubChem CID 66779980) has the molecular formula C3H2BF3K2O3 and a molecular weight of 232.05 g/mol. Its IUPAC name is dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane.

Molecular Properties

Compound Namedipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane
PubChem CID66779980
Molecular FormulaC3H2BF3K2O3
Molecular Weight232.05 g/mol
Exact Mass231.93
IUPAC Namedipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane
SMILES[K+].[K+].[O-]B([O-])OC1(F)CC1(F)F
InChIInChI=1S/C3H2BF3O3.2K/c5-2(6)1-3(2,7)10-4(8)9;;/h1H2;;/q-2;2*+1
InChIKeyUHMXCPWTCGMMEH-UHFFFAOYSA-N
XLogP-7.58
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 5-7.58
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

(1,2,2-trifluorocyclopropyl)oxyboronic acid
CID 66779979
dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane
CID 175031838
dipotassium;5-dioxidoboranyloxy-1,2,3,4,5,6,6-heptafluorocyclohex-3-ene-1-carbonitrile
CID 172796604
1,1-dichloro-2,2-difluorocyclopropane
CID 12637093
1,3-difluorobicyclo[1.1.1]pentane
CID 86129482
dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane
CID 86620274
[3,5-bis(trifluoromethyl)phenoxy]-dioxidoborane;[3,5-bis(trifluoromethyl)phenoxy]-hydroxyborinate;N,N-dibutylbutan-1-amine;ruthenium(3+)
CID 171924940
dioxidoboranyloxy(dioxido)borane;zirconium(4+)
CID 161331427
dipotassium;boric acid;bis(dihydrogen borate);sulfane
CID 174505501
magnesium;potassium;borate
CID 162263597
(1,2,2-trifluoro-3-oxabicyclo[4.1.0]heptan-6-yl)boronic acid
CID 170556660
2,2,3,3,5,5-hexafluorooxolane
CID 18737303

Frequently Asked Questions

What is the IUPAC name of dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane?
The IUPAC name of dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane (CID 66779980) is dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane.
What is the SMILES notation for dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane?
The canonical SMILES for dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane is [K+].[K+].[O-]B([O-])OC1(F)CC1(F)F.
What is the InChIKey of dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane?
The InChIKey is UHMXCPWTCGMMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BF3O3.2K/c5-2(6)1-3(2,7)10-4(8)9;;/h1H2;;/q-2;2*+1.
What are the key properties of dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane?
dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane has a molecular weight of 232.05 g/mol, XLogP of -7.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane is sourced from PubChem (CID 66779980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).