3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C15H17F3N2O2 — CID 115067350

IUPAC3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1OC2(CCCNCC2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)11-3-1-4-12(9-11)20-10-14(22-13(20)21)5-2-7-19-8-6-14/h1,3-4,9,19H,2,5-8,10H2
InChIKeyYDPOZCDWFGYBPZ-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.17
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 115067350) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID115067350
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1OC2(CCCNCC2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)11-3-1-4-12(9-11)20-10-14(22-13(20)21)5-2-7-19-8-6-14/h1,3-4,9,19H,2,5-8,10H2
InChIKeyYDPOZCDWFGYBPZ-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56773862
(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 141312567
3-(4-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66764577
5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 115064963
3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995
(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 141312603
3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66545182
1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 70692250
3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067366
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
3-(4-aminophenyl)-1-oxa-3-azaspiro[4.4]nonan-2-one
CID 105490903
3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 84789780

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 115067350) is 3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1OC2(CCCNCC2)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is YDPOZCDWFGYBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)11-3-1-4-12(9-11)20-10-14(22-13(20)21)5-2-7-19-8-6-14/h1,3-4,9,19H,2,5-8,10H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 314.31 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 115067350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).