1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone

C15H16F3NO3 — CID 17250050

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)12-3-1-2-11(10-12)13(20)19-6-4-14(5-7-19)21-8-9-22-14/h1-3,10H,4-9H2
InChIKeyVHFKLNWQIDUIGL-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.68
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 17250050) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone
PubChem CID17250050
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)12-3-1-2-11(10-12)13(20)19-6-4-14(5-7-19)21-8-9-22-14/h1-3,10H,4-9H2
InChIKeyVHFKLNWQIDUIGL-UHFFFAOYSA-N
XLogP2.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone (CID 17250050) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is VHFKLNWQIDUIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3/c16-15(17,18)12-3-1-2-11(10-12)13(20)19-6-4-14(5-7-19)21-8-9-22-14/h1-3,10H,4-9H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 315.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 17250050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).