trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide

C7H14BF3N- — CID 63704351

IUPACtrifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide
SMILESCC1CCCCN1C[B-](F)(F)F
InChIInChI=1S/C7H14BF3N/c1-7-4-2-3-5-12(7)6-8(9,10)11/h7H,2-6H2,1H3/q-1
InChIKeyIQURGYJTIORCMZ-UHFFFAOYSA-N
MW180.00 g/mol
LogP2.25
Rot. Bonds2

About trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide

trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide (PubChem CID 63704351) has the molecular formula C7H14BF3N- and a molecular weight of 180.00 g/mol. Its IUPAC name is trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide
PubChem CID63704351
Molecular FormulaC7H14BF3N-
Molecular Weight180.00 g/mol
Exact Mass180.12
IUPAC Nametrifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide
SMILESCC1CCCCN1C[B-](F)(F)F
InChIInChI=1S/C7H14BF3N/c1-7-4-2-3-5-12(7)6-8(9,10)11/h7H,2-6H2,1H3/q-1
InChIKeyIQURGYJTIORCMZ-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.00
LogP ≤ 52.25
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-[(2-methylpiperidin-1-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide (CID 63704351) is trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide is CC1CCCCN1C[B-](F)(F)F.
What is the InChIKey of trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide?
The InChIKey is IQURGYJTIORCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BF3N/c1-7-4-2-3-5-12(7)6-8(9,10)11/h7H,2-6H2,1H3/q-1.
What are the key properties of trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide?
trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide has a molecular weight of 180.00 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide is sourced from PubChem (CID 63704351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).