1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

C13H19F2NO — CID 115408512

IUPAC1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CC(F)F)CC(C)(C)CC2O
InChIInChI=1S/C13H19F2NO/c1-8-4-9-10(16(8)7-12(14)15)5-13(2,3)6-11(9)17/h4,11-12,17H,5-7H2,1-3H3
InChIKeyWUICBQJDAAZACC-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.07
Rot. Bonds2

About 1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 115408512) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID115408512
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CC(F)F)CC(C)(C)CC2O
InChIInChI=1S/C13H19F2NO/c1-8-4-9-10(16(8)7-12(14)15)5-13(2,3)6-11(9)17/h4,11-12,17H,5-7H2,1-3H3
InChIKeyWUICBQJDAAZACC-UHFFFAOYSA-N
XLogP3.07
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 107817926
2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol
CID 62640256
2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol
CID 62639906
2,6,6-trimethyl-1-pent-3-ynyl-5,7-dihydro-4H-indol-4-ol
CID 116645351
2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol
CID 63826731
1-(2-hydroxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 62359810
1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466063
1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 62132538
2,6,6-trimethyl-1-[2-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-ol
CID 64529978
1-(3-chloro-5-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 107370388
2-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)-3-methylbutanamide
CID 106347058
4-(4-hydroxy-2,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one
CID 106188086

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (CID 115408512) is 1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is Cc1cc2c(n1CC(F)F)CC(C)(C)CC2O.
What is the InChIKey of 1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is WUICBQJDAAZACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-8-4-9-10(16(8)7-12(14)15)5-13(2,3)6-11(9)17/h4,11-12,17H,5-7H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 243.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 115408512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).