trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide

C10H18BF3NO- — CID 166072845

IUPACtrifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide
SMILESF[B-](F)(F)CC1COCCC12CCNCC2
InChIInChI=1S/C10H18BF3NO/c12-11(13,14)7-9-8-16-6-3-10(9)1-4-15-5-2-10/h9,15H,1-8H2/q-1
InChIKeyUROJZCRFVGGCAW-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.24
Rot. Bonds2

About trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide

trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide (PubChem CID 166072845) has the molecular formula C10H18BF3NO- and a molecular weight of 236.07 g/mol. Its IUPAC name is trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide.

Molecular Properties

Compound Nametrifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide
PubChem CID166072845
Molecular FormulaC10H18BF3NO-
Molecular Weight236.07 g/mol
Exact Mass236.14
IUPAC Nametrifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide
SMILESF[B-](F)(F)CC1COCCC12CCNCC2
InChIInChI=1S/C10H18BF3NO/c12-11(13,14)7-9-8-16-6-3-10(9)1-4-15-5-2-10/h9,15H,1-8H2/q-1
InChIKeyUROJZCRFVGGCAW-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate
CID 174191568
4-(7-azaspiro[3.5]nonan-3-yl)morpholine
CID 86820562
8-oxaspiro[4.5]decan-4-ylmethanol
CID 126975254
6-propyl-2-oxa-8-azaspiro[4.5]decane
CID 79321500
11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane
CID 112570802
[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine
CID 125041554
4-fluoro-4-(oxolan-3-yl)azepane
CID 103983808
(4R)-4-methyl-2-oxa-8-azaspiro[4.5]decane
CID 89206971
4-(oxan-3-yl)piperidin-4-ol
CID 107135511
4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride
CID 163385711
2-(oxan-4-yl)-5-azaspiro[2.4]heptane
CID 115016004
1-(oxolan-3-yl)-N-[(4-phenylpiperidin-4-yl)methyl]methanamine
CID 63155325

Frequently Asked Questions

What is the IUPAC name of trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide?
The IUPAC name of trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide (CID 166072845) is trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide.
What is the SMILES notation for trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide?
The canonical SMILES for trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide is F[B-](F)(F)CC1COCCC12CCNCC2.
What is the InChIKey of trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide?
The InChIKey is UROJZCRFVGGCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3NO/c12-11(13,14)7-9-8-16-6-3-10(9)1-4-15-5-2-10/h9,15H,1-8H2/q-1.
What are the key properties of trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide?
trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide has a molecular weight of 236.07 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide is sourced from PubChem (CID 166072845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).