3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide

C12H14BF3N- — CID 106745635

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCCc2ccccc21)[B-](F)(F)F
InChIInChI=1S/C12H14BF3N/c1-10(13(14,15)16)9-17-8-4-6-11-5-2-3-7-12(11)17/h2-3,5,7H,1,4,6,8-9H2/q-1
InChIKeyLHPPIKTWWIWTNA-UHFFFAOYSA-N
MW240.06 g/mol
LogP3.38
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide

3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745635) has the molecular formula C12H14BF3N- and a molecular weight of 240.06 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745635
Molecular FormulaC12H14BF3N-
Molecular Weight240.06 g/mol
Exact Mass240.12
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCCc2ccccc21)[B-](F)(F)F
InChIInChI=1S/C12H14BF3N/c1-10(13(14,15)16)9-17-8-4-6-11-5-2-3-7-12(11)17/h2-3,5,7H,1,4,6,8-9H2/q-1
InChIKeyLHPPIKTWWIWTNA-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide (CID 106745635) is 3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide is C=C(CN1CCCc2ccccc21)[B-](F)(F)F.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is LHPPIKTWWIWTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BF3N/c1-10(13(14,15)16)9-17-8-4-6-11-5-2-3-7-12(11)17/h2-3,5,7H,1,4,6,8-9H2/q-1.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 240.06 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).