6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone

C14H21F3N2O2 — CID 136584996

IUPAC6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESC[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)C1CC12CCNCC2
InChIInChI=1S/C14H21F3N2O2/c1-9-11(14(15,16)17)21-7-6-19(9)12(20)10-8-13(10)2-4-18-5-3-13/h9-11,18H,2-8H2,1H3/t9-,10?,11-/m1/s1
InChIKeyFPTUQXVMBFMUBU-GLYLRITDSA-N
MW306.33 g/mol
LogP1.55
Rot. Bonds1

About 6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone

6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 136584996) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID136584996
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESC[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)C1CC12CCNCC2
InChIInChI=1S/C14H21F3N2O2/c1-9-11(14(15,16)17)21-7-6-19(9)12(20)10-8-13(10)2-4-18-5-3-13/h9-11,18H,2-8H2,1H3/t9-,10?,11-/m1/s1
InChIKeyFPTUQXVMBFMUBU-GLYLRITDSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355935
6-azaspiro[2.5]octan-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958673
3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid
CID 154746410
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
(2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712851
6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103533074
1-(6-azaspiro[2.5]octane-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597374
6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409039
N-(2-methyloxan-4-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 114107780
6-azaspiro[2.5]octan-2-yl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103872611
N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 65107462
5-azaspiro[2.4]heptan-2-yl(pyrrolidin-1-yl)methanone
CID 131208946

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone (CID 136584996) is 6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone is C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)C1CC12CCNCC2.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is FPTUQXVMBFMUBU-GLYLRITDSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-9-11(14(15,16)17)21-7-6-19(9)12(20)10-8-13(10)2-4-18-5-3-13/h9-11,18H,2-8H2,1H3/t9-,10?,11-/m1/s1.
What are the key properties of 6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone?
6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 306.33 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 136584996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).