2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane

C16H28F3N3 — CID 154670787

IUPAC2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane
SMILESCCN1CC(C(N2CCC3(CC2)CN(CC)C3)C(F)(F)F)C1
InChIInChI=1S/C16H28F3N3/c1-3-20-9-13(10-20)14(16(17,18)19)22-7-5-15(6-8-22)11-21(4-2)12-15/h13-14H,3-12H2,1-2H3
InChIKeyUTFXIABKBUUJFC-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.29
Rot. Bonds4

About 2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane

2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 154670787) has the molecular formula C16H28F3N3 and a molecular weight of 319.42 g/mol. Its IUPAC name is 2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane
PubChem CID154670787
Molecular FormulaC16H28F3N3
Molecular Weight319.42 g/mol
Exact Mass319.22
IUPAC Name2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane
SMILESCCN1CC(C(N2CCC3(CC2)CN(CC)C3)C(F)(F)F)C1
InChIInChI=1S/C16H28F3N3/c1-3-20-9-13(10-20)14(16(17,18)19)22-7-5-15(6-8-22)11-21(4-2)12-15/h13-14H,3-12H2,1-2H3
InChIKeyUTFXIABKBUUJFC-UHFFFAOYSA-N
XLogP2.29
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane (CID 154670787) is 2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane is CCN1CC(C(N2CCC3(CC2)CN(CC)C3)C(F)(F)F)C1.
What is the InChIKey of 2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is UTFXIABKBUUJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3/c1-3-20-9-13(10-20)14(16(17,18)19)22-7-5-15(6-8-22)11-21(4-2)12-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane?
2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 319.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[1-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154670787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).