(1,2,2-trifluorocyclopropyl)oxyboronic acid

C3H4BF3O3 — CID 66779979

IUPAC(1,2,2-trifluorocyclopropyl)oxyboronic acid
SMILESOB(O)OC1(F)CC1(F)F
InChIInChI=1S/C3H4BF3O3/c5-2(6)1-3(2,7)10-4(8)9/h8-9H,1H2
InChIKeyKQQKBQUYDQFPEY-UHFFFAOYSA-N
MW155.87 g/mol
LogP-0.32
Rot. Bonds2

About (1,2,2-trifluorocyclopropyl)oxyboronic acid

(1,2,2-trifluorocyclopropyl)oxyboronic acid (PubChem CID 66779979) has the molecular formula C3H4BF3O3 and a molecular weight of 155.87 g/mol. Its IUPAC name is (1,2,2-trifluorocyclopropyl)oxyboronic acid.

Molecular Properties

Compound Name(1,2,2-trifluorocyclopropyl)oxyboronic acid
PubChem CID66779979
Molecular FormulaC3H4BF3O3
Molecular Weight155.87 g/mol
Exact Mass156.02
IUPAC Name(1,2,2-trifluorocyclopropyl)oxyboronic acid
SMILESOB(O)OC1(F)CC1(F)F
InChIInChI=1S/C3H4BF3O3/c5-2(6)1-3(2,7)10-4(8)9/h8-9H,1H2
InChIKeyKQQKBQUYDQFPEY-UHFFFAOYSA-N
XLogP-0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.87
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;dioxido-(1,2,2-trifluorocyclopropyl)oxyborane
CID 66779980
(2,2,3-trifluoro-1-methylcyclopropyl)oxyboronic acid
CID 175031839
1,1-dichloro-2,2-difluorocyclopropane
CID 12637093
(2-silyloxan-2-yl)oxyboronic acid
CID 123818208
(1,2,2-trifluoro-3-oxabicyclo[4.1.0]heptan-6-yl)boronic acid
CID 170556660
strontium;fluorooxyboronic acid;hydride
CID 173358889
(2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate
CID 67900975
hydroperoxyboronic acid
CID 173303376
1,3-difluorobicyclo[1.1.1]pentane
CID 86129482
bis(2,2-difluoro-1-methylcyclopropyl)methanone
CID 19098833
[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol
CID 92980110
azane;fluoro(methoxy)borinic acid
CID 173155946

Frequently Asked Questions

What is the IUPAC name of (1,2,2-trifluorocyclopropyl)oxyboronic acid?
The IUPAC name of (1,2,2-trifluorocyclopropyl)oxyboronic acid (CID 66779979) is (1,2,2-trifluorocyclopropyl)oxyboronic acid.
What is the SMILES notation for (1,2,2-trifluorocyclopropyl)oxyboronic acid?
The canonical SMILES for (1,2,2-trifluorocyclopropyl)oxyboronic acid is OB(O)OC1(F)CC1(F)F.
What is the InChIKey of (1,2,2-trifluorocyclopropyl)oxyboronic acid?
The InChIKey is KQQKBQUYDQFPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BF3O3/c5-2(6)1-3(2,7)10-4(8)9/h8-9H,1H2.
What are the key properties of (1,2,2-trifluorocyclopropyl)oxyboronic acid?
(1,2,2-trifluorocyclopropyl)oxyboronic acid has a molecular weight of 155.87 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2-trifluorocyclopropyl)oxyboronic acid is sourced from PubChem (CID 66779979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).