N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

C15H26F3NO — CID 79952601

IUPACN-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26F3NO/c1-2-19-13(5-9-15(16,17)18)12-6-10-20-14(11-12)7-3-4-8-14/h12-13,19H,2-11H2,1H3
InChIKeyOIMPGTDQMZAWHO-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (PubChem CID 79952601) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
PubChem CID79952601
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26F3NO/c1-2-19-13(5-9-15(16,17)18)12-6-10-20-14(11-12)7-3-4-8-14/h12-13,19H,2-11H2,1H3
InChIKeyOIMPGTDQMZAWHO-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (CID 79952601) is N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is CCNC(CCC(F)(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The InChIKey is OIMPGTDQMZAWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-19-13(5-9-15(16,17)18)12-6-10-20-14(11-12)7-3-4-8-14/h12-13,19H,2-11H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is sourced from PubChem (CID 79952601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).