N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine

C12H20F3NO — CID 79898038

IUPACN-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-16-10-4-7-17-11(8-10)5-2-1-3-6-11/h10,16H,1-9H2
InChIKeyXDXYKMAAPBWVNQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine

N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79898038) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79898038
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-16-10-4-7-17-11(8-10)5-2-1-3-6-11/h10,16H,1-9H2
InChIKeyXDXYKMAAPBWVNQ-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-Cyclohexylethoxy)ethyl]piperidine
CID 56829863
9,9-Difluoro-1-oxaspiro[5.5]undecan-4-amine hydrochloride
CID 165948659
4,4-Difluoro-1-oxa-9-azaspiro[5.5]undecane
CID 155894212
4,4-Difluoro-1-oxa-9-azaspiro[5.5]undecane hydrochloride
CID 168435194
2,6-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxan-4-amine
CID 75445090
2-cyclopropyl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 121523407
4-Fluoro-1-oxa-9-azaspiro[5.5]undecane
CID 146273106
2-[2-[(4,4-difluorocyclohexyl)amino]propyl]-N-methyl-4-(trifluoromethyl)oxan-4-amine
CID 169587954
N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43730370
N-[2-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43730643
N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43747388
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine (CID 79898038) is N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine is FC(F)(F)CNC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is XDXYKMAAPBWVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)9-16-10-4-7-17-11(8-10)5-2-1-3-6-11/h10,16H,1-9H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 251.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79898038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).