7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene

C20H19F3N2O — CID 134788106

IUPAC7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESFC(F)(F)c1cccc(C2=NOC3(CCN(Cc4ccccc4)C3)C2)c1
InChIInChI=1S/C20H19F3N2O/c21-20(22,23)17-8-4-7-16(11-17)18-12-19(26-24-18)9-10-25(14-19)13-15-5-2-1-3-6-15/h1-8,11H,9-10,12-14H2
InChIKeyVAZDGVZRAQGYDR-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.47
Rot. Bonds3

About 7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene

7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 134788106) has the molecular formula C20H19F3N2O and a molecular weight of 360.38 g/mol. Its IUPAC name is 7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID134788106
Molecular FormulaC20H19F3N2O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESFC(F)(F)c1cccc(C2=NOC3(CCN(Cc4ccccc4)C3)C2)c1
InChIInChI=1S/C20H19F3N2O/c21-20(22,23)17-8-4-7-16(11-17)18-12-19(26-24-18)9-10-25(14-19)13-15-5-2-1-3-6-15/h1-8,11H,9-10,12-14H2
InChIKeyVAZDGVZRAQGYDR-UHFFFAOYSA-N
XLogP4.47
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 134788106) is 7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is FC(F)(F)c1cccc(C2=NOC3(CCN(Cc4ccccc4)C3)C2)c1.
What is the InChIKey of 7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is VAZDGVZRAQGYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O/c21-20(22,23)17-8-4-7-16(11-17)18-12-19(26-24-18)9-10-25(14-19)13-15-5-2-1-3-6-15/h1-8,11H,9-10,12-14H2.
What are the key properties of 7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 360.38 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 7-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 134788106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).