1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide

C9H15BF3O2- — CID 79920073

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide
SMILESF[B-](F)(F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C9H15BF3O2/c11-10(12,13)8-1-4-15-9(7-8)2-5-14-6-3-9/h8H,1-7H2/q-1
InChIKeyVUGPMJDQOSSOCV-UHFFFAOYSA-N
MW223.02 g/mol
LogP2.56
Rot. Bonds1

About 1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide

1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide (PubChem CID 79920073) has the molecular formula C9H15BF3O2- and a molecular weight of 223.02 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide
PubChem CID79920073
Molecular FormulaC9H15BF3O2-
Molecular Weight223.02 g/mol
Exact Mass223.11
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide
SMILESF[B-](F)(F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C9H15BF3O2/c11-10(12,13)8-1-4-15-9(7-8)2-5-14-6-3-9/h8H,1-7H2/q-1
InChIKeyVUGPMJDQOSSOCV-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
4-iodo-1,9-dioxaspiro[5.5]undecane
CID 79923455
1,9-dioxaspiro[5.5]undecane-4-carbonitrile
CID 79903637
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894333
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide (CID 79920073) is 1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide is F[B-](F)(F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide?
The InChIKey is VUGPMJDQOSSOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BF3O2/c11-10(12,13)8-1-4-15-9(7-8)2-5-14-6-3-9/h8H,1-7H2/q-1.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide?
1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide has a molecular weight of 223.02 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide is sourced from PubChem (CID 79920073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).