3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C18H23F3N2O — CID 134794314

IUPAC3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)C1=NOC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C18H23F3N2O/c1-13(2)16-11-17(24-22-16)7-9-23(10-8-17)12-14-3-5-15(6-4-14)18(19,20)21/h3-6,13H,7-12H2,1-2H3
InChIKeyIVUVOOJTOZUYPO-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.47
Rot. Bonds3

About 3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134794314) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134794314
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)C1=NOC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C18H23F3N2O/c1-13(2)16-11-17(24-22-16)7-9-23(10-8-17)12-14-3-5-15(6-4-14)18(19,20)21/h3-6,13H,7-12H2,1-2H3
InChIKeyIVUVOOJTOZUYPO-UHFFFAOYSA-N
XLogP4.47
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134794314) is 3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC(C)C1=NOC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1.
What is the InChIKey of 3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is IVUVOOJTOZUYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c1-13(2)16-11-17(24-22-16)7-9-23(10-8-17)12-14-3-5-15(6-4-14)18(19,20)21/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 340.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134794314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).