[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid

C3H2BF5O2 — CID 57416382

IUPAC[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid
SMILESOB(O)/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C3H2BF5O2/c5-1(3(7,8)9)2(6)4(10)11/h10-11H/b2-1+
InChIKeyHNTRIXRMQXLFIB-OWOJBTEDSA-N
MW175.85 g/mol
LogP0.71
Rot. Bonds1

About [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid

[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid (PubChem CID 57416382) has the molecular formula C3H2BF5O2 and a molecular weight of 175.85 g/mol. Its IUPAC name is [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid.

Molecular Properties

Compound Name[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid
PubChem CID57416382
Molecular FormulaC3H2BF5O2
Molecular Weight175.85 g/mol
Exact Mass176.01
IUPAC Name[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid
SMILESOB(O)/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C3H2BF5O2/c5-1(3(7,8)9)2(6)4(10)11/h10-11H/b2-1+
InChIKeyHNTRIXRMQXLFIB-OWOJBTEDSA-N
XLogP0.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.85
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid?
The IUPAC name of [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid (CID 57416382) is [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid.
What is the SMILES notation for [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid?
The canonical SMILES for [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid is OB(O)/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid?
The InChIKey is HNTRIXRMQXLFIB-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H2BF5O2/c5-1(3(7,8)9)2(6)4(10)11/h10-11H/b2-1+.
What are the key properties of [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid?
[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid has a molecular weight of 175.85 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid is sourced from PubChem (CID 57416382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).