7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline

C13H16F3NO2 — CID 107313941

IUPAC7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)COCCOc1ccc2c(c1)NCCC2
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)9-18-6-7-19-11-4-3-10-2-1-5-17-12(10)8-11/h3-4,8,17H,1-2,5-7,9H2
InChIKeyZOZMFXTWPHYCAD-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.00
Rot. Bonds5

About 7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline

7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 107313941) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID107313941
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)COCCOc1ccc2c(c1)NCCC2
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)9-18-6-7-19-11-4-3-10-2-1-5-17-12(10)8-11/h3-4,8,17H,1-2,5-7,9H2
InChIKeyZOZMFXTWPHYCAD-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107314042
7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol
CID 107313916
7-pentoxy-1,2,3,4-tetrahydroquinoline
CID 107313970
7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 107313986
7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075463
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 65202998
4-(1,2,3,4-tetrahydroquinolin-7-yloxymethyl)thiane 1,1-dioxide
CID 115075515
7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 115075504
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
N-(2-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107313939

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline (CID 107313941) is 7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline is FC(F)(F)COCCOc1ccc2c(c1)NCCC2.
What is the InChIKey of 7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZOZMFXTWPHYCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)9-18-6-7-19-11-4-3-10-2-1-5-17-12(10)8-11/h3-4,8,17H,1-2,5-7,9H2.
What are the key properties of 7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 275.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 107313941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).