9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

C20H25F3N2O — CID 134789533

IUPAC9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1cccc(C2=NOC3(CCCN(CC4CCCC4)C3)C2)c1
InChIInChI=1S/C20H25F3N2O/c21-20(22,23)17-8-3-7-16(11-17)18-12-19(26-24-18)9-4-10-25(14-19)13-15-5-1-2-6-15/h3,7-8,11,15H,1-2,4-6,9-10,12-14H2
InChIKeyWLXKYQZUUPLUIA-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.85
Rot. Bonds3

About 9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (PubChem CID 134789533) has the molecular formula C20H25F3N2O and a molecular weight of 366.43 g/mol. Its IUPAC name is 9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
PubChem CID134789533
Molecular FormulaC20H25F3N2O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1cccc(C2=NOC3(CCCN(CC4CCCC4)C3)C2)c1
InChIInChI=1S/C20H25F3N2O/c21-20(22,23)17-8-3-7-16(11-17)18-12-19(26-24-18)9-4-10-25(14-19)13-15-5-1-2-6-15/h3,7-8,11,15H,1-2,4-6,9-10,12-14H2
InChIKeyWLXKYQZUUPLUIA-UHFFFAOYSA-N
XLogP4.85
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (CID 134789533) is 9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is FC(F)(F)c1cccc(C2=NOC3(CCCN(CC4CCCC4)C3)C2)c1.
What is the InChIKey of 9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The InChIKey is WLXKYQZUUPLUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O/c21-20(22,23)17-8-3-7-16(11-17)18-12-19(26-24-18)9-4-10-25(14-19)13-15-5-1-2-6-15/h3,7-8,11,15H,1-2,4-6,9-10,12-14H2.
What are the key properties of 9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene has a molecular weight of 366.43 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134789533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).