8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane

C10H16F3NO — CID 134430011

IUPAC8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane
SMILESCC1CCC2(CC1)NC(C(F)(F)F)CO2
InChIInChI=1S/C10H16F3NO/c1-7-2-4-9(5-3-7)14-8(6-15-9)10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyAXCGCSNNEYHOSL-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.44
Rot. Bonds

About 8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane

8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane (PubChem CID 134430011) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane
PubChem CID134430011
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane
SMILESCC1CCC2(CC1)NC(C(F)(F)F)CO2
InChIInChI=1S/C10H16F3NO/c1-7-2-4-9(5-3-7)14-8(6-15-9)10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyAXCGCSNNEYHOSL-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxa-4-azaspiro(4.5)decane, 8-methyl-
CID 3053402
1-Oxa-4-azaspiro(4.5)decane, 7-methyl-
CID 210916
1-Oxa-4-azaspiro(4.5)decane, 6-methyl-
CID 3068528
(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
2-(Cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229370
(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229372
2-Ethyl-7-methyl-5-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
CID 137507139
4-(1-Iodoethyl)-3-methyl-8-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane
CID 143899858
(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine
CID 156774035
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
N-ethyl-4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755696
4-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756702

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane?
The IUPAC name of 8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane (CID 134430011) is 8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane?
The canonical SMILES for 8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane is CC1CCC2(CC1)NC(C(F)(F)F)CO2.
What is the InChIKey of 8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane?
The InChIKey is AXCGCSNNEYHOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-7-2-4-9(5-3-7)14-8(6-15-9)10(11,12)13/h7-8,14H,2-6H2,1H3.
What are the key properties of 8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane?
8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane has a molecular weight of 223.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decane is sourced from PubChem (CID 134430011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).