(3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine

C9H15F3N2O — CID 158658734

IUPAC(3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1)N[C@H](C(F)(F)F)CO2
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7-5-15-8(14-7)3-1-6(13)2-4-8/h6-7,14H,1-5,13H2/t6?,7-,8?/m0/s1
InChIKeyFOTSRDZIZKXNND-WTIBDHCWSA-N
MW224.23 g/mol
LogP1.13
Rot. Bonds

About (3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine

(3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine (PubChem CID 158658734) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is (3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name(3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine
PubChem CID158658734
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name(3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1)N[C@H](C(F)(F)F)CO2
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7-5-15-8(14-7)3-1-6(13)2-4-8/h6-7,14H,1-5,13H2/t6?,7-,8?/m0/s1
InChIKeyFOTSRDZIZKXNND-WTIBDHCWSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxaspiro[4.5]decan-8-amine
CID 67070405
(1,2,3-13C3)cyclopropanamine
CID 76972988
spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane]
CID 91304045
4-fluoro-4-[(trifluoromethylamino)methyl]cyclohexan-1-amine
CID 105467383
1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol
CID 129208532
[(2R,5R)-5-(trifluoromethyl)pyrrolidin-2-yl]methanamine
CID 95396558
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
(2S,4S)-2-(trifluoromethyl)oxan-4-amine
CID 82652984
2-(trifluoromethyl)oxan-4-amine
CID 130167257
2,2-difluorospiro[2.5]octan-6-amine;hydrochloride
CID 121209137
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
4-amino-1-(aminomethyl)cyclohexan-1-ol
CID 105428674

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine?
The IUPAC name of (3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine (CID 158658734) is (3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for (3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine?
The canonical SMILES for (3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine is NC1CCC2(CC1)N[C@H](C(F)(F)F)CO2.
What is the InChIKey of (3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine?
The InChIKey is FOTSRDZIZKXNND-WTIBDHCWSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)7-5-15-8(14-7)3-1-6(13)2-4-8/h6-7,14H,1-5,13H2/t6?,7-,8?/m0/s1.
What are the key properties of (3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine?
(3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine has a molecular weight of 224.23 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 158658734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).