N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine

C12H20F3NO — CID 66357164

IUPACN-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine
SMILESCNC1CC(OCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C12H20F3NO/c1-16-9-7-10(17-8-12(13,14)15)11(9)5-3-2-4-6-11/h9-10,16H,2-8H2,1H3
InChIKeyNRMCSVASKDGACJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.88
Rot. Bonds3

About N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine

N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine (PubChem CID 66357164) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine
PubChem CID66357164
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine
SMILESCNC1CC(OCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C12H20F3NO/c1-16-9-7-10(17-8-12(13,14)15)11(9)5-3-2-4-6-11/h9-10,16H,2-8H2,1H3
InChIKeyNRMCSVASKDGACJ-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine (CID 66357164) is N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine is CNC1CC(OCC(F)(F)F)C12CCCCC2.
What is the InChIKey of N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine?
The InChIKey is NRMCSVASKDGACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-16-9-7-10(17-8-12(13,14)15)11(9)5-3-2-4-6-11/h9-10,16H,2-8H2,1H3.
What are the key properties of N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine?
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 66357164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).