trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide

C9H15BF3O- — CID 79920299

IUPACtrifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide
SMILESF[B-](F)(F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C9H15BF3O/c11-10(12,13)8-3-6-14-9(7-8)4-1-2-5-9/h8H,1-7H2/q-1
InChIKeyMTIDOOSRLXZMOC-UHFFFAOYSA-N
MW207.02 g/mol
LogP3.33
Rot. Bonds1

About trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide

trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide (PubChem CID 79920299) has the molecular formula C9H15BF3O- and a molecular weight of 207.02 g/mol. Its IUPAC name is trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide.

Molecular Properties

Compound Nametrifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide
PubChem CID79920299
Molecular FormulaC9H15BF3O-
Molecular Weight207.02 g/mol
Exact Mass207.12
IUPAC Nametrifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide
SMILESF[B-](F)(F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C9H15BF3O/c11-10(12,13)8-3-6-14-9(7-8)4-1-2-5-9/h8H,1-7H2/q-1
InChIKeyMTIDOOSRLXZMOC-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 53.33
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(6-oxaspiro[4.5]decan-9-yl)boranuide?
The IUPAC name of trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide (CID 79920299) is trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide.
What is the SMILES notation for trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide?
The canonical SMILES for trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide is F[B-](F)(F)C1CCOC2(CCCC2)C1.
What is the InChIKey of trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide?
The InChIKey is MTIDOOSRLXZMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BF3O/c11-10(12,13)8-3-6-14-9(7-8)4-1-2-5-9/h8H,1-7H2/q-1.
What are the key properties of trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide?
trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide has a molecular weight of 207.02 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(6-oxaspiro[4.5]decan-9-yl)boranuide is sourced from PubChem (CID 79920299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).