3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide

C11H22BF3N- — CID 106745666

IUPAC3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CCCC)CCCC)[B-](F)(F)F
InChIInChI=1S/C11H22BF3N/c1-4-6-8-16(9-7-5-2)10-11(3)12(13,14)15/h3-10H2,1-2H3/q-1
InChIKeyXZAZEZKEFNRLIY-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.83
Rot. Bonds9

About 3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide

3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745666) has the molecular formula C11H22BF3N- and a molecular weight of 236.11 g/mol. Its IUPAC name is 3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745666
Molecular FormulaC11H22BF3N-
Molecular Weight236.11 g/mol
Exact Mass236.18
IUPAC Name3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CCCC)CCCC)[B-](F)(F)F
InChIInChI=1S/C11H22BF3N/c1-4-6-8-16(9-7-5-2)10-11(3)12(13,14)15/h3-10H2,1-2H3/q-1
InChIKeyXZAZEZKEFNRLIY-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.83
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 3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide (CID 106745666) is 3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide is C=C(CN(CCCC)CCCC)[B-](F)(F)F.
What is the InChIKey of 3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is XZAZEZKEFNRLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BF3N/c1-4-6-8-16(9-7-5-2)10-11(3)12(13,14)15/h3-10H2,1-2H3/q-1.
What are the key properties of 3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide?
3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 236.11 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).