5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol

C14H17F3O3 — CID 107684669

IUPAC5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(OCCCOCC(F)(F)F)ccc21
InChIInChI=1S/C14H17F3O3/c15-14(16,17)9-19-6-1-7-20-11-3-4-12-10(8-11)2-5-13(12)18/h3-4,8,13,18H,1-2,5-7,9H2
InChIKeyYSVQRHLLQYKIPM-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.01
Rot. Bonds6

About 5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol

5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684669) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID107684669
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(OCCCOCC(F)(F)F)ccc21
InChIInChI=1S/C14H17F3O3/c15-14(16,17)9-19-6-1-7-20-11-3-4-12-10(8-11)2-5-13(12)18/h3-4,8,13,18H,1-2,5-7,9H2
InChIKeyYSVQRHLLQYKIPM-UHFFFAOYSA-N
XLogP3.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.01
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

5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanenitrile
CID 107684826
(1S)-5-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091258
(1R)-5-[2-(2-methylpropoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091316
methyl 4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoate
CID 107684768
6-(5-fluoropentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114280270
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 29415647

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol (CID 107684669) is 5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol is OC1CCc2cc(OCCCOCC(F)(F)F)ccc21.
What is the InChIKey of 5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is YSVQRHLLQYKIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3/c15-14(16,17)9-19-6-1-7-20-11-3-4-12-10(8-11)2-5-13(12)18/h3-4,8,13,18H,1-2,5-7,9H2.
What are the key properties of 5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol?
5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 290.28 g/mol, XLogP of 3.01, 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]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).