N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C13H22F3NO — CID 105016756

IUPACN-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCCNC(C1CCOC2(CCCC2)C1)C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-2-17-11(13(14,15)16)10-5-8-18-12(9-10)6-3-4-7-12/h10-11,17H,2-9H2,1H3
InChIKeyQXEBTCUDPPQXEM-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 105016756) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID105016756
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCCNC(C1CCOC2(CCCC2)C1)C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-2-17-11(13(14,15)16)10-5-8-18-12(9-10)6-3-4-7-12/h10-11,17H,2-9H2,1H3
InChIKeyQXEBTCUDPPQXEM-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016200
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831
1-N,2-N,2-N-triethyl-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine
CID 79906946
N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79952767
[2,2-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butyl]hydrazine
CID 105325523
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105016192
N-[7-bicyclo[4.1.0]heptanyl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016661
N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115824809
2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79921915
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 105016756) is N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is CCNC(C1CCOC2(CCCC2)C1)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is QXEBTCUDPPQXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-17-11(13(14,15)16)10-5-8-18-12(9-10)6-3-4-7-12/h10-11,17H,2-9H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 265.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 105016756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).