trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide

C9H14BF3NO- — CID 106746152

IUPACtrifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CC2CCC(C1)O2)[B-](F)(F)F
InChIInChI=1S/C9H14BF3NO/c1-7(10(11,12)13)4-14-5-8-2-3-9(6-14)15-8/h8-9H,1-6H2/q-1
InChIKeyVPBIAZSBFKDKSD-UHFFFAOYSA-N
MW220.02 g/mol
LogP1.79
Rot. Bonds3

About trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide

trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746152) has the molecular formula C9H14BF3NO- and a molecular weight of 220.02 g/mol. Its IUPAC name is trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide
PubChem CID106746152
Molecular FormulaC9H14BF3NO-
Molecular Weight220.02 g/mol
Exact Mass220.11
IUPAC Nametrifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CC2CCC(C1)O2)[B-](F)(F)F
InChIInChI=1S/C9H14BF3NO/c1-7(10(11,12)13)4-14-5-8-2-3-9(6-14)15-8/h8-9H,1-6H2/q-1
InChIKeyVPBIAZSBFKDKSD-UHFFFAOYSA-N
XLogP1.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.02
LogP ≤ 51.79
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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide (CID 106746152) is trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide is C=C(CN1CC2CCC(C1)O2)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide?
The InChIKey is VPBIAZSBFKDKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BF3NO/c1-7(10(11,12)13)4-14-5-8-2-3-9(6-14)15-8/h8-9H,1-6H2/q-1.
What are the key properties of trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide?
trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide has a molecular weight of 220.02 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).