8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H18F3NO2 — CID 11959667

IUPAC8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1ccc(CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)13-3-1-12(2-4-13)11-19-7-5-14(6-8-19)20-9-10-21-14/h1-4H,5-11H2
InChIKeyUWVFABUXDGZYIP-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.04
Rot. Bonds2

About 8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 11959667) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID11959667
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1ccc(CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)13-3-1-12(2-4-13)11-19-7-5-14(6-8-19)20-9-10-21-14/h1-4H,5-11H2
InChIKeyUWVFABUXDGZYIP-UHFFFAOYSA-N
XLogP3.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 11959667) is 8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is FC(F)(F)c1ccc(CN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is UWVFABUXDGZYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)13-3-1-12(2-4-13)11-19-7-5-14(6-8-19)20-9-10-21-14/h1-4H,5-11H2.
What are the key properties of 8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 301.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 11959667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).