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

C14H24F3NO — CID 79953310

IUPAC4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24F3NO/c1-18-12(4-8-14(15,16)17)11-5-9-19-13(10-11)6-2-3-7-13/h11-12,18H,2-10H2,1H3
InChIKeyJXLNDDRLQMCVRJ-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds4

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

4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (PubChem CID 79953310) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
PubChem CID79953310
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24F3NO/c1-18-12(4-8-14(15,16)17)11-5-9-19-13(10-11)6-2-3-7-13/h11-12,18H,2-10H2,1H3
InChIKeyJXLNDDRLQMCVRJ-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (CID 79953310) is 4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is CNC(CCC(F)(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The InChIKey is JXLNDDRLQMCVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-18-12(4-8-14(15,16)17)11-5-9-19-13(10-11)6-2-3-7-13/h11-12,18H,2-10H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is sourced from PubChem (CID 79953310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).