1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C10H16F3NO2 — CID 103216543

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C10H16F3NO2/c1-14-8(6-15-7-10(11,12)13)9-4-2-3-5-16-9/h4,8,14H,2-3,5-7H2,1H3
InChIKeySAXPRQAPWYTJOY-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.85
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216543) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216543
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C10H16F3NO2/c1-14-8(6-15-7-10(11,12)13)9-4-2-3-5-16-9/h4,8,14H,2-3,5-7H2,1H3
InChIKeySAXPRQAPWYTJOY-UHFFFAOYSA-N
XLogP1.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216543) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is SAXPRQAPWYTJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14-8(6-15-7-10(11,12)13)9-4-2-3-5-16-9/h4,8,14H,2-3,5-7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 239.24 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).