trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide

C7H12BF3NO- — CID 66369476

IUPACtrifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide
SMILESF[B-](F)(F)CN1CC2CCC(C1)O2
InChIInChI=1S/C7H12BF3NO/c9-8(10,11)5-12-3-6-1-2-7(4-12)13-6/h6-7H,1-5H2/q-1
InChIKeyREIUGCQZTPFXQW-UHFFFAOYSA-N
MW193.98 g/mol
LogP1.24
Rot. Bonds2

About trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide

trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide (PubChem CID 66369476) has the molecular formula C7H12BF3NO- and a molecular weight of 193.98 g/mol. Its IUPAC name is trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide.

Molecular Properties

Compound Nametrifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide
PubChem CID66369476
Molecular FormulaC7H12BF3NO-
Molecular Weight193.98 g/mol
Exact Mass194.10
IUPAC Nametrifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide
SMILESF[B-](F)(F)CN1CC2CCC(C1)O2
InChIInChI=1S/C7H12BF3NO/c9-8(10,11)5-12-3-6-1-2-7(4-12)13-6/h6-7H,1-5H2/q-1
InChIKeyREIUGCQZTPFXQW-UHFFFAOYSA-N
XLogP1.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.98
LogP ≤ 51.24
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(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide?
The IUPAC name of trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide (CID 66369476) is trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide.
What is the SMILES notation for trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide?
The canonical SMILES for trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide is F[B-](F)(F)CN1CC2CCC(C1)O2.
What is the InChIKey of trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide?
The InChIKey is REIUGCQZTPFXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BF3NO/c9-8(10,11)5-12-3-6-1-2-7(4-12)13-6/h6-7H,1-5H2/q-1.
What are the key properties of trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide?
trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide has a molecular weight of 193.98 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)boranuide is sourced from PubChem (CID 66369476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).