CID 175269376

C4H11BF3O3 — CID 175269376

IUPAC—
SMILESCCOC(=O)OC.F.F.F.[B]
InChIInChI=1S/C4H8O3.B.3FH/c1-3-7-4(5)6-2;;;;/h3H2,1-2H3;;3*1H
InChIKeyWMHXZLNMYXFLET-UHFFFAOYSA-N
MW174.94 g/mol
LogP0.87
Rot. Bonds1

About CID 175269376

CID 175269376 (PubChem CID 175269376) has the molecular formula C4H11BF3O3 and a molecular weight of 174.94 g/mol.

Molecular Properties

Compound NameCID 175269376
PubChem CID175269376
Molecular FormulaC4H11BF3O3
Molecular Weight174.94 g/mol
Exact Mass175.08
IUPAC Name—
SMILESCCOC(=O)OC.F.F.F.[B]
InChIInChI=1S/C4H8O3.B.3FH/c1-3-7-4(5)6-2;;;;/h3H2,1-2H3;;3*1H
InChIKeyWMHXZLNMYXFLET-UHFFFAOYSA-N
XLogP0.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.94
LogP ≤ 50.87
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

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ethyl 2-methoxycarbonyloxypropanoate
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diethyl carbonate;ethane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of CID 175269376?
The IUPAC name of CID 175269376 (CID 175269376) is not available.
What is the SMILES notation for CID 175269376?
The canonical SMILES for CID 175269376 is CCOC(=O)OC.F.F.F.[B].
What is the InChIKey of CID 175269376?
The InChIKey is WMHXZLNMYXFLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.B.3FH/c1-3-7-4(5)6-2;;;;/h3H2,1-2H3;;3*1H.
What are the key properties of CID 175269376?
CID 175269376 has a molecular weight of 174.94 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175269376 is sourced from PubChem (CID 175269376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).