trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide

C8H14BF3N- — CID 56955005

IUPACtrifluoro(1-piperidin-1-ylprop-2-enyl)boranuide
SMILESC=CC(N1CCCCC1)[B-](F)(F)F
InChIInChI=1S/C8H14BF3N/c1-2-8(9(10,11)12)13-6-4-3-5-7-13/h2,8H,1,3-7H2/q-1
InChIKeyKDCNEPGWZBLIPD-UHFFFAOYSA-N
MW192.01 g/mol
LogP2.41
Rot. Bonds3

About trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide

trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide (PubChem CID 56955005) has the molecular formula C8H14BF3N- and a molecular weight of 192.01 g/mol. Its IUPAC name is trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide.

Molecular Properties

Compound Nametrifluoro(1-piperidin-1-ylprop-2-enyl)boranuide
PubChem CID56955005
Molecular FormulaC8H14BF3N-
Molecular Weight192.01 g/mol
Exact Mass192.12
IUPAC Nametrifluoro(1-piperidin-1-ylprop-2-enyl)boranuide
SMILESC=CC(N1CCCCC1)[B-](F)(F)F
InChIInChI=1S/C8H14BF3N/c1-2-8(9(10,11)12)13-6-4-3-5-7-13/h2,8H,1,3-7H2/q-1
InChIKeyKDCNEPGWZBLIPD-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.01
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide?
The IUPAC name of trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide (CID 56955005) is trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide.
What is the SMILES notation for trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide?
The canonical SMILES for trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide is C=CC(N1CCCCC1)[B-](F)(F)F.
What is the InChIKey of trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide?
The InChIKey is KDCNEPGWZBLIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BF3N/c1-2-8(9(10,11)12)13-6-4-3-5-7-13/h2,8H,1,3-7H2/q-1.
What are the key properties of trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide?
trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide has a molecular weight of 192.01 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide is sourced from PubChem (CID 56955005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).