3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H20F4N2O2 — CID 70732649

IUPAC3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(Cc3cc(F)ccc3C(F)(F)F)CC2)OC1=O
InChIInChI=1S/C17H20F4N2O2/c1-2-23-11-16(25-15(23)24)5-7-22(8-6-16)10-12-9-13(18)3-4-14(12)17(19,20)21/h3-4,9H,2,5-8,10-11H2,1H3
InChIKeyPSNQZJKSFUSSTO-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.65
Rot. Bonds3

About 3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70732649) has the molecular formula C17H20F4N2O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is 3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70732649
Molecular FormulaC17H20F4N2O2
Molecular Weight360.35 g/mol
Exact Mass360.15
IUPAC Name3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(Cc3cc(F)ccc3C(F)(F)F)CC2)OC1=O
InChIInChI=1S/C17H20F4N2O2/c1-2-23-11-16(25-15(23)24)5-7-22(8-6-16)10-12-9-13(18)3-4-14(12)17(19,20)21/h3-4,9H,2,5-8,10-11H2,1H3
InChIKeyPSNQZJKSFUSSTO-UHFFFAOYSA-N
XLogP3.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

US10030020, Example 152
CID 132114588
US10030020, Example 177
CID 132114742
US10030020, Example 180
CID 132114833
US10030020, Example 150
CID 132114864
US10781211, Example 265
CID 132131813
US10858373, Example 15
CID 135251269
US10858373, Example 17
CID 135251270
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-methylene-3-(phenylmethyl)-
CID 3077238
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-3-methyl-4-methylene-
CID 3077258
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-methylene-3-propyl-
CID 3077262
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-ethyl-8-(2-(4-chlorophenyl)ethyl)-4-methylene-
CID 3077270
(6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
CID 24752753

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70732649) is 3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(Cc3cc(F)ccc3C(F)(F)F)CC2)OC1=O.
What is the InChIKey of 3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PSNQZJKSFUSSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N2O2/c1-2-23-11-16(25-15(23)24)5-7-22(8-6-16)10-12-9-13(18)3-4-14(12)17(19,20)21/h3-4,9H,2,5-8,10-11H2,1H3.
What are the key properties of 3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 360.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70732649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).