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

C9H18BF3N- — CID 106745561

IUPAC3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CCC)CCC)[B-](F)(F)F
InChIInChI=1S/C9H18BF3N/c1-4-6-14(7-5-2)8-9(3)10(11,12)13/h3-8H2,1-2H3/q-1
InChIKeyYBOBOFFKHUAJEK-UHFFFAOYSA-N
MW208.06 g/mol
LogP3.05
Rot. Bonds7

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

3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745561) has the molecular formula C9H18BF3N- and a molecular weight of 208.06 g/mol. Its IUPAC name is 3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745561
Molecular FormulaC9H18BF3N-
Molecular Weight208.06 g/mol
Exact Mass208.15
IUPAC Name3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CCC)CCC)[B-](F)(F)F
InChIInChI=1S/C9H18BF3N/c1-4-6-14(7-5-2)8-9(3)10(11,12)13/h3-8H2,1-2H3/q-1
InChIKeyYBOBOFFKHUAJEK-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 53.05
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-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide (CID 106745561) is 3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide is C=C(CN(CCC)CCC)[B-](F)(F)F.
What is the InChIKey of 3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is YBOBOFFKHUAJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BF3N/c1-4-6-14(7-5-2)8-9(3)10(11,12)13/h3-8H2,1-2H3/q-1.
What are the key properties of 3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide?
3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 208.06 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).