1-cyclopropylethenyl(trifluoro)boranuide

C5H7BF3- — CID 155291243

IUPAC1-cyclopropylethenyl(trifluoro)boranuide
SMILESC=C(C1CC1)[B-](F)(F)F
InChIInChI=1S/C5H7BF3/c1-4(5-2-3-5)6(7,8)9/h5H,1-3H2/q-1
InChIKeyWIJKPKRBBPTVGL-UHFFFAOYSA-N
MW134.92 g/mol
LogP2.34
Rot. Bonds2

About 1-cyclopropylethenyl(trifluoro)boranuide

1-cyclopropylethenyl(trifluoro)boranuide (PubChem CID 155291243) has the molecular formula C5H7BF3- and a molecular weight of 134.92 g/mol. Its IUPAC name is 1-cyclopropylethenyl(trifluoro)boranuide.

Molecular Properties

Compound Name1-cyclopropylethenyl(trifluoro)boranuide
PubChem CID155291243
Molecular FormulaC5H7BF3-
Molecular Weight134.92 g/mol
Exact Mass135.06
IUPAC Name1-cyclopropylethenyl(trifluoro)boranuide
SMILESC=C(C1CC1)[B-](F)(F)F
InChIInChI=1S/C5H7BF3/c1-4(5-2-3-5)6(7,8)9/h5H,1-3H2/q-1
InChIKeyWIJKPKRBBPTVGL-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.92
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-cyclopropylethenyl(trifluoro)boranuide?
The IUPAC name of 1-cyclopropylethenyl(trifluoro)boranuide (CID 155291243) is 1-cyclopropylethenyl(trifluoro)boranuide.
What is the SMILES notation for 1-cyclopropylethenyl(trifluoro)boranuide?
The canonical SMILES for 1-cyclopropylethenyl(trifluoro)boranuide is C=C(C1CC1)[B-](F)(F)F.
What is the InChIKey of 1-cyclopropylethenyl(trifluoro)boranuide?
The InChIKey is WIJKPKRBBPTVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BF3/c1-4(5-2-3-5)6(7,8)9/h5H,1-3H2/q-1.
What are the key properties of 1-cyclopropylethenyl(trifluoro)boranuide?
1-cyclopropylethenyl(trifluoro)boranuide has a molecular weight of 134.92 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethenyl(trifluoro)boranuide is sourced from PubChem (CID 155291243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).