4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane

C2H2BF3O3 — CID 150591171

IUPAC4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane
SMILESOB1OC(F)C(F)(F)O1
InChIInChI=1S/C2H2BF3O3/c4-1-2(5,6)9-3(7)8-1/h1,7H
InChIKeyLPZRZYLGZUJLOB-UHFFFAOYSA-N
MW141.84 g/mol
LogP-0.10
Rot. Bonds

About 4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane

4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane (PubChem CID 150591171) has the molecular formula C2H2BF3O3 and a molecular weight of 141.84 g/mol. Its IUPAC name is 4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane
PubChem CID150591171
Molecular FormulaC2H2BF3O3
Molecular Weight141.84 g/mol
Exact Mass142.00
IUPAC Name4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane
SMILESOB1OC(F)C(F)(F)O1
InChIInChI=1S/C2H2BF3O3/c4-1-2(5,6)9-3(7)8-1/h1,7H
InChIKeyLPZRZYLGZUJLOB-UHFFFAOYSA-N
XLogP-0.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.84
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 74024068
2,2,4,5-tetrafluoro-3H-furan-3-ol
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1,4-difluorocyclobut-2-yn-1-ol
CID 139484432
4,4,5,6,7,7-hexafluoro-1,3,2-dioxathiepane
CID 89312221
rutherfordium;2,2,3-trifluorocyclopropan-1-ol
CID 59685229
4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 90243315
2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol
CID 131967198
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane
CID 75360843
2,3,3-trifluorooxolane
CID 142163643
4,4-difluoro-9-oxabicyclo[4.2.1]nonan-3-ol
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2,2,3-trifluorothiirane
CID 54324343
2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol
CID 89354579

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane (CID 150591171) is 4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane is OB1OC(F)C(F)(F)O1.
What is the InChIKey of 4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane?
The InChIKey is LPZRZYLGZUJLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2BF3O3/c4-1-2(5,6)9-3(7)8-1/h1,7H.
What are the key properties of 4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane?
4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane has a molecular weight of 141.84 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane is sourced from PubChem (CID 150591171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).