N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine

C13H22F3NO — CID 103791798

IUPACN-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine
SMILESCC(CC(F)(F)F)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C13H22F3NO/c1-10(8-13(14,15)16)17-11-4-7-18-12(9-11)5-2-3-6-12/h10-11,17H,2-9H2,1H3
InChIKeyAVZLNQQXBHTYKE-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.41
Rot. Bonds3

About N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine

N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 103791798) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID103791798
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine
SMILESCC(CC(F)(F)F)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C13H22F3NO/c1-10(8-13(14,15)16)17-11-4-7-18-12(9-11)5-2-3-6-12/h10-11,17H,2-9H2,1H3
InChIKeyAVZLNQQXBHTYKE-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine (CID 103791798) is N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine is CC(CC(F)(F)F)NC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is AVZLNQQXBHTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-10(8-13(14,15)16)17-11-4-7-18-12(9-11)5-2-3-6-12/h10-11,17H,2-9H2,1H3.
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 265.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 103791798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).