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

C9H14F3NO2 — CID 103216540

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-14-5-7(13)8-3-1-2-4-15-8/h3,7H,1-2,4-6,13H2
InChIKeyDBMGIYVHFCRXAJ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.59
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216540) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216540
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-14-5-7(13)8-3-1-2-4-15-8/h3,7H,1-2,4-6,13H2
InChIKeyDBMGIYVHFCRXAJ-UHFFFAOYSA-N
XLogP1.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810444
(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810445
3,3,3-Trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142856948
ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080456
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
CID 102647258
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
CID 102647826
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanamine
CID 102649431
1-(2,3-Dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-amine
CID 102651351
1-(2,3-Dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-amine
CID 102651936
1-(2,3-Dihydrofuran-5-yl)-2,2,2-trifluoroethanamine
CID 102653593
1-(2,3-Dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147992
1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148062

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216540) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is DBMGIYVHFCRXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)6-14-5-7(13)8-3-1-2-4-15-8/h3,7H,1-2,4-6,13H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 225.21 g/mol, XLogP of 1.59, 4 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)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).