trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide

C10H19BF3N2- — CID 106745622

IUPACtrifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C1CCN(C)CC1)[B-](F)(F)F
InChIInChI=1S/C10H19BF3N2/c1-9(11(12,13)14)8-16(3)10-4-6-15(2)7-5-10/h10H,1,4-8H2,2-3H3/q-1
InChIKeyRZWZUIABLXOQKF-UHFFFAOYSA-N
MW235.08 g/mol
LogP1.96
Rot. Bonds4

About trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide

trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide (PubChem CID 106745622) has the molecular formula C10H19BF3N2- and a molecular weight of 235.08 g/mol. Its IUPAC name is trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide
PubChem CID106745622
Molecular FormulaC10H19BF3N2-
Molecular Weight235.08 g/mol
Exact Mass235.16
IUPAC Nametrifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C1CCN(C)CC1)[B-](F)(F)F
InChIInChI=1S/C10H19BF3N2/c1-9(11(12,13)14)8-16(3)10-4-6-15(2)7-5-10/h10H,1,4-8H2,2-3H3/q-1
InChIKeyRZWZUIABLXOQKF-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide (CID 106745622) is trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide is C=C(CN(C)C1CCN(C)CC1)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide?
The InChIKey is RZWZUIABLXOQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BF3N2/c1-9(11(12,13)14)8-16(3)10-4-6-15(2)7-5-10/h10H,1,4-8H2,2-3H3/q-1.
What are the key properties of trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide?
trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide has a molecular weight of 235.08 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).