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

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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).