2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine

C13H22F3NO2 — CID 82726957

IUPAC2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine
SMILESCC1OCCC1NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c1-9-12(5-6-18-9)17-10-3-2-4-11(7-10)19-8-13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyGLBKUFIBVWAUTQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.64
Rot. Bonds4

About 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine

2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine (PubChem CID 82726957) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine
PubChem CID82726957
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine
SMILESCC1OCCC1NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c1-9-12(5-6-18-9)17-10-3-2-4-11(7-10)19-8-13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyGLBKUFIBVWAUTQ-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine (CID 82726957) is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine is CC1OCCC1NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine?
The InChIKey is GLBKUFIBVWAUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-9-12(5-6-18-9)17-10-3-2-4-11(7-10)19-8-13(14,15)16/h9-12,17H,2-8H2,1H3.
What are the key properties of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine?
2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine has a molecular weight of 281.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine is sourced from PubChem (CID 82726957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).