trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide

C8H14BF3N- — CID 106745541

IUPACtrifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCC1C)[B-](F)(F)F
InChIInChI=1S/C8H14BF3N/c1-7(9(10,11)12)6-13-5-3-4-8(13)2/h8H,1,3-6H2,2H3/q-1
InChIKeyABDOIRSAGGCKAQ-UHFFFAOYSA-N
MW192.01 g/mol
LogP2.41
Rot. Bonds3

About trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide

trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106745541) has the molecular formula C8H14BF3N- and a molecular weight of 192.01 g/mol. Its IUPAC name is trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106745541
Molecular FormulaC8H14BF3N-
Molecular Weight192.01 g/mol
Exact Mass192.12
IUPAC Nametrifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCC1C)[B-](F)(F)F
InChIInChI=1S/C8H14BF3N/c1-7(9(10,11)12)6-13-5-3-4-8(13)2/h8H,1,3-6H2,2H3/q-1
InChIKeyABDOIRSAGGCKAQ-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.01
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide 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 trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide (CID 106745541) is trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide is C=C(CN1CCCC1C)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is ABDOIRSAGGCKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BF3N/c1-7(9(10,11)12)6-13-5-3-4-8(13)2/h8H,1,3-6H2,2H3/q-1.
What are the key properties of trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide?
trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 192.01 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).