CID 175908128

C4H4BF6O6 — CID 175908128

IUPAC—
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O[B]O
InChIInChI=1S/2C2HF3O2.BH2O2/c2*3-2(4,5)1(6)7;2-1-3/h2*(H,6,7);2-3H
InChIKeyMVERGMRDXXYEFU-UHFFFAOYSA-N
MW272.87 g/mol
LogP-0.23
Rot. Bonds

About CID 175908128

CID 175908128 (PubChem CID 175908128) has the molecular formula C4H4BF6O6 and a molecular weight of 272.87 g/mol.

Molecular Properties

Compound NameCID 175908128
PubChem CID175908128
Molecular FormulaC4H4BF6O6
Molecular Weight272.87 g/mol
Exact Mass273.00
IUPAC Name—
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O[B]O
InChIInChI=1S/2C2HF3O2.BH2O2/c2*3-2(4,5)1(6)7;2-1-3/h2*(H,6,7);2-3H
InChIKeyMVERGMRDXXYEFU-UHFFFAOYSA-N
XLogP-0.23
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.87
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;tris(2,2,2-trifluoroacetic acid)
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erbium;tris(2,2,2-trifluoroacetic acid)
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azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
CID 159010746
CID 159010746
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506
oxophosphanium;2,2,2-trifluoroacetic acid
CID 175810301

Frequently Asked Questions

What is the IUPAC name of CID 175908128?
The IUPAC name of CID 175908128 (CID 175908128) is not available.
What is the SMILES notation for CID 175908128?
The canonical SMILES for CID 175908128 is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O[B]O.
What is the InChIKey of CID 175908128?
The InChIKey is MVERGMRDXXYEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2HF3O2.BH2O2/c2*3-2(4,5)1(6)7;2-1-3/h2*(H,6,7);2-3H.
What are the key properties of CID 175908128?
CID 175908128 has a molecular weight of 272.87 g/mol, XLogP of -0.23, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175908128 is sourced from PubChem (CID 175908128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).