acetyloxy(trifluoro)boranuide;hydron

C2H4BF3O2 — CID 165340094

IUPACacetyloxy(trifluoro)boranuide;hydron
SMILESCC(=O)O[B-](F)(F)F.[H+]
InChIInChI=1S/C2H3BF3O2/c1-2(7)8-3(4,5)6/h1H3/q-1/p+1
InChIKeyVLMRJHFSXZVJPB-UHFFFAOYSA-O
MW127.86 g/mol
LogP1.01
Rot. Bonds1

About acetyloxy(trifluoro)boranuide;hydron

acetyloxy(trifluoro)boranuide;hydron (PubChem CID 165340094) has the molecular formula C2H4BF3O2 and a molecular weight of 127.86 g/mol. Its IUPAC name is acetyloxy(trifluoro)boranuide;hydron.

Molecular Properties

Compound Nameacetyloxy(trifluoro)boranuide;hydron
PubChem CID165340094
Molecular FormulaC2H4BF3O2
Molecular Weight127.86 g/mol
Exact Mass128.03
IUPAC Nameacetyloxy(trifluoro)boranuide;hydron
SMILESCC(=O)O[B-](F)(F)F.[H+]
InChIInChI=1S/C2H3BF3O2/c1-2(7)8-3(4,5)6/h1H3/q-1/p+1
InChIKeyVLMRJHFSXZVJPB-UHFFFAOYSA-O
XLogP1.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.86
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetraacetyloxyboranuide
CID 18516386
(trifluoro-λ4-sulfanyl) acetate
CID 87285354
CID 174824016
CID 174824016
carbonic acid;fluoro acetate
CID 174579483
disodium;acetate;tetrafluoroborate
CID 173374237
methyl acetate;ruthenium
CID 160799101
acetyl acetate;bis(trifluoroborane)
CID 87483459
methanesulfonic acid;methyl acetate
CID 172690689
(3-bromo-1,1,1-trifluoro-3-oxopropan-2-yl) acetate
CID 151246638
acetic acid;ruthenium
CID 175502908
CID 87069860
CID 87069860
methyl acetate;titanium
CID 87665287

Frequently Asked Questions

What is the IUPAC name of acetyloxy(trifluoro)boranuide;hydron?
The IUPAC name of acetyloxy(trifluoro)boranuide;hydron (CID 165340094) is acetyloxy(trifluoro)boranuide;hydron.
What is the SMILES notation for acetyloxy(trifluoro)boranuide;hydron?
The canonical SMILES for acetyloxy(trifluoro)boranuide;hydron is CC(=O)O[B-](F)(F)F.[H+].
What is the InChIKey of acetyloxy(trifluoro)boranuide;hydron?
The InChIKey is VLMRJHFSXZVJPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3BF3O2/c1-2(7)8-3(4,5)6/h1H3/q-1/p+1.
What are the key properties of acetyloxy(trifluoro)boranuide;hydron?
acetyloxy(trifluoro)boranuide;hydron has a molecular weight of 127.86 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy(trifluoro)boranuide;hydron is sourced from PubChem (CID 165340094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).