2H-pyran;trifluoroborane

C5H6BF3O — CID 174934056

IUPAC2H-pyran;trifluoroborane
SMILESC1=CCOC=C1.FB(F)F
InChIInChI=1S/C5H6O.BF3/c1-2-4-6-5-3-1;2-1(3)4/h1-4H,5H2;
InChIKeyVLHWGLHQBBECHH-UHFFFAOYSA-N
MW149.91 g/mol
LogP1.97
Rot. Bonds

About 2H-pyran;trifluoroborane

2H-pyran;trifluoroborane (PubChem CID 174934056) has the molecular formula C5H6BF3O and a molecular weight of 149.91 g/mol. Its IUPAC name is 2H-pyran;trifluoroborane.

Molecular Properties

Compound Name2H-pyran;trifluoroborane
PubChem CID174934056
Molecular FormulaC5H6BF3O
Molecular Weight149.91 g/mol
Exact Mass150.05
IUPAC Name2H-pyran;trifluoroborane
SMILESC1=CCOC=C1.FB(F)F
InChIInChI=1S/C5H6O.BF3/c1-2-4-6-5-3-1;2-1(3)4/h1-4H,5H2;
InChIKeyVLHWGLHQBBECHH-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.91
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran;trifluoroborane?
The IUPAC name of 2H-pyran;trifluoroborane (CID 174934056) is 2H-pyran;trifluoroborane.
What is the SMILES notation for 2H-pyran;trifluoroborane?
The canonical SMILES for 2H-pyran;trifluoroborane is C1=CCOC=C1.FB(F)F.
What is the InChIKey of 2H-pyran;trifluoroborane?
The InChIKey is VLHWGLHQBBECHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.BF3/c1-2-4-6-5-3-1;2-1(3)4/h1-4H,5H2;.
What are the key properties of 2H-pyran;trifluoroborane?
2H-pyran;trifluoroborane has a molecular weight of 149.91 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran;trifluoroborane is sourced from PubChem (CID 174934056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).