5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C15H20F3NO2 — CID 65456111

IUPAC5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCCCOCC(F)(F)F)cccc21
InChIInChI=1S/C15H20F3NO2/c16-15(17,18)10-20-8-3-9-21-14-7-2-4-11-12(14)5-1-6-13(11)19/h2,4,7,13H,1,3,5-6,8-10,19H2
InChIKeyJFNSXCQCHXSMPM-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.37
Rot. Bonds6

About 5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65456111) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65456111
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCCCOCC(F)(F)F)cccc21
InChIInChI=1S/C15H20F3NO2/c16-15(17,18)10-20-8-3-9-21-14-7-2-4-11-12(14)5-1-6-13(11)19/h2,4,7,13H,1,3,5-6,8-10,19H2
InChIKeyJFNSXCQCHXSMPM-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65456111) is 5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2c(OCCCOCC(F)(F)F)cccc21.
What is the InChIKey of 5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JFNSXCQCHXSMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c16-15(17,18)10-20-8-3-9-21-14-7-2-4-11-12(14)5-1-6-13(11)19/h2,4,7,13H,1,3,5-6,8-10,19H2.
What are the key properties of 5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 303.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65456111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).