2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol

C14H20F3NO — CID 55176112

IUPAC2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CCC(F)(F)F)CC(C)(C)CC2O
InChIInChI=1S/C14H20F3NO/c1-9-6-10-11(7-13(2,3)8-12(10)19)18(9)5-4-14(15,16)17/h6,12,19H,4-5,7-8H2,1-3H3
InChIKeyNFQUYBOXTNPGEQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.75
Rot. Bonds2

About 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol

2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol (PubChem CID 55176112) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol
PubChem CID55176112
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CCC(F)(F)F)CC(C)(C)CC2O
InChIInChI=1S/C14H20F3NO/c1-9-6-10-11(7-13(2,3)8-12(10)19)18(9)5-4-14(15,16)17/h6,12,19H,4-5,7-8H2,1-3H3
InChIKeyNFQUYBOXTNPGEQ-UHFFFAOYSA-N
XLogP3.75
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol (CID 55176112) is 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol is Cc1cc2c(n1CCC(F)(F)F)CC(C)(C)CC2O.
What is the InChIKey of 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol?
The InChIKey is NFQUYBOXTNPGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-9-6-10-11(7-13(2,3)8-12(10)19)18(9)5-4-14(15,16)17/h6,12,19H,4-5,7-8H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol?
2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol has a molecular weight of 275.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 55176112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).