2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol

C15H22F3NO2 — CID 63826731

IUPAC2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CCOCC(F)(F)F)CC(C)(C)CC2O
InChIInChI=1S/C15H22F3NO2/c1-10-6-11-12(7-14(2,3)8-13(11)20)19(10)4-5-21-9-15(16,17)18/h6,13,20H,4-5,7-9H2,1-3H3
InChIKeyYXJQLNAELCLQQZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.38
Rot. Bonds4

About 2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol

2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol (PubChem CID 63826731) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol
PubChem CID63826731
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CCOCC(F)(F)F)CC(C)(C)CC2O
InChIInChI=1S/C15H22F3NO2/c1-10-6-11-12(7-14(2,3)8-13(11)20)19(10)4-5-21-9-15(16,17)18/h6,13,20H,4-5,7-9H2,1-3H3
InChIKeyYXJQLNAELCLQQZ-UHFFFAOYSA-N
XLogP3.38
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.38
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

1-(1-Ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethan-1-ol
CID 3127242
Ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol
CID 143205862
7,7-Difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol
CID 145054331
3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol
CID 162383354
7,7-difluoro-1-(trifluoromethyl)-3-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-indolizin-8-ol
CID 162383357
7,7-difluoro-3-(1-phenylcyclopropyl)-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol
CID 162383358
3-(3,5-difluorophenyl)-7,7-difluoro-1-(trifluoromethyl)-6,8-dihydro-5H-indolizin-8-ol
CID 162383458
7-Fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol
CID 162383473
3-(3,5-Difluorophenyl)-7-fluoro-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol
CID 162383474
1-(Trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 168842247
3-(3,5-difluorophenyl)-7,7-difluoro-1-methyl-6,8-dihydro-5H-indolizin-8-ol
CID 169991324
3-[(E)-2-cyclohexylethenyl]-7,7-difluoro-1-methyl-6,8-dihydro-5H-indolizin-8-ol
CID 169991326

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol (CID 63826731) is 2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol is Cc1cc2c(n1CCOCC(F)(F)F)CC(C)(C)CC2O.
What is the InChIKey of 2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol?
The InChIKey is YXJQLNAELCLQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-10-6-11-12(7-14(2,3)8-13(11)20)19(10)4-5-21-9-15(16,17)18/h6,13,20H,4-5,7-9H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol?
2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol has a molecular weight of 305.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 63826731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).