7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane

C9H14F3NO2 — CID 131182289

IUPAC7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESFC(F)(F)CCN1CCC2(C1)OCCO2
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)2-4-13-3-1-8(7-13)14-5-6-15-8/h1-7H2
InChIKeyZSURSCLLFNZLPY-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.39
Rot. Bonds2

About 7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane

7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 131182289) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID131182289
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESFC(F)(F)CCN1CCC2(C1)OCCO2
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)2-4-13-3-1-8(7-13)14-5-6-15-8/h1-7H2
InChIKeyZSURSCLLFNZLPY-UHFFFAOYSA-N
XLogP1.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-difluoropropanoic acid
CID 165467220
3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane
CID 144979676
7-(3-methylbut-3-enyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130964518
2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154885864
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N-methylpropanamide
CID 131182035
2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane
CID 170739932
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine
CID 99833971
3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566531
(2S)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluorobutan-2-ol
CID 40549331
7-(oxan-4-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131142357
4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 122664538
7-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130971030

Frequently Asked Questions

What is the IUPAC name of 7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane (CID 131182289) is 7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane is FC(F)(F)CCN1CCC2(C1)OCCO2.
What is the InChIKey of 7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is ZSURSCLLFNZLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)2-4-13-3-1-8(7-13)14-5-6-15-8/h1-7H2.
What are the key properties of 7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 225.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3,3-trifluoropropyl)-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 131182289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).