1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C11H18F3NO2 — CID 103216168

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1=COCCC1
InChIInChI=1S/C11H18F3NO2/c1-2-15-10(7-17-8-11(12,13)14)9-4-3-5-16-6-9/h6,10,15H,2-5,7-8H2,1H3
InChIKeyXNJZPTQBLCBNQU-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.24
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216168) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216168
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1=COCCC1
InChIInChI=1S/C11H18F3NO2/c1-2-15-10(7-17-8-11(12,13)14)9-4-3-5-16-6-9/h6,10,15H,2-5,7-8H2,1H3
InChIKeyXNJZPTQBLCBNQU-UHFFFAOYSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoro-N-methylethanamine
CID 55297096
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148624
1-(3,4-dihydro-2H-pyran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148776
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 103149395
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylpropan-1-amine
CID 103149719
N-ethyl-4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103215736
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216169
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216172
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216174
N-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103216260
5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103216267
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475118

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216168) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is XNJZPTQBLCBNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-15-10(7-17-8-11(12,13)14)9-4-3-5-16-6-9/h6,10,15H,2-5,7-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 253.26 g/mol, XLogP of 2.24, 6 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-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).