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

C9H16BF3N- — CID 106745546

IUPACtrifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCCC1C)[B-](F)(F)F
InChIInChI=1S/C9H16BF3N/c1-8(10(11,12)13)7-14-6-4-3-5-9(14)2/h9H,1,3-7H2,2H3/q-1
InChIKeyHBFZVSDBSHXCPP-UHFFFAOYSA-N
MW206.04 g/mol
LogP2.80
Rot. Bonds3

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

trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106745546) has the molecular formula C9H16BF3N- and a molecular weight of 206.04 g/mol. Its IUPAC name is trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106745546
Molecular FormulaC9H16BF3N-
Molecular Weight206.04 g/mol
Exact Mass206.13
IUPAC Nametrifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCCC1C)[B-](F)(F)F
InChIInChI=1S/C9H16BF3N/c1-8(10(11,12)13)7-14-6-4-3-5-9(14)2/h9H,1,3-7H2,2H3/q-1
InChIKeyHBFZVSDBSHXCPP-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 52.80
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 trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide (CID 106745546) is trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide is C=C(CN1CCCCC1C)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is HBFZVSDBSHXCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BF3N/c1-8(10(11,12)13)7-14-6-4-3-5-9(14)2/h9H,1,3-7H2,2H3/q-1.
What are the key properties of trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 206.04 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).